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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 92 results

Search term: C49H81O14P (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117230087

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40(50)36-37-43(52)62-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)38-60-42(51)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,32,34,40-41,44-50,53-57H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31,33,35-39H2,1-2H3,(H,58,59)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,34-32-/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230088

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40(50)36-37-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,32,34,40-41,44-50,53-57H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31,33,35-39H2,1-2H3,(H,58,59)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,34-32-/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230089

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-36-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)37-33-29-31-35-40(50)34-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12-15,19,21,25,27,29-31,34,40-41,44-50,53-57H,3-5,7,9-11,16-18,20,22-24,26,28,32-33,35-39H2,1-2H3,(H,58,59)/b8-6-,14-12-,15-13-,21-19-,27-25-,31-29-,34-30-/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230090

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-37-43(52)62-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)38-60-42(51)36-33-29-31-35-40(50)34-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12-15,19,21,25,27,29-31,34,40-41,44-50,53-57H,3-5,7,9-11,16-18,20,22-24,26,28,32-33,35-39H2,1-2H3,(H,58,59)/b8-6-,14-12-,15-13-,21-19-,27-25-,31-29-,34-30-/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230091

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-12-13-14-15-16-17-21-24-28-32-36-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)37-33-29-25-22-19-18-20-23-27-31-35-40(50)34-30-26-10-8-6-4-2/h6,8,12-13,18-19,23,25-27,29-31,35,40-41,44-50,53-57H,3-5,7,9-11,14-17,20-22,24,28,32-34,36-39H2,1-2H3,(H,58,59)/b8-6-,13-12-,19-18-,27-23-,29-25-,30-26-,35-31+/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230092

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-12-13-14-15-16-17-22-25-29-33-37-43(52)62-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)38-60-42(51)36-32-28-24-21-19-18-20-23-27-31-35-40(50)34-30-26-10-8-6-4-2/h6,8,12-13,18-19,23-24,26-28,30-31,35,40-41,44-50,53-57H,3-5,7,9-11,14-17,20-22,25,29,32-34,36-39H2,1-2H3,(H,58,59)/b8-6-,13-12-,19-18-,27-23-,28-24-,30-26-,35-31+/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230093

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-8-9-10-11-12-13-16-19-22-25-28-32-36-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)37-33-29-26-23-20-17-14-15-18-21-24-27-31-35-40(50)34-30-6-4-2/h6,10-11,15,17-18,20,24,26-27,29-31,35,40-41,44-50,53-57H,3-5,7-9,12-14,16,19,21-23,25,28,32-34,36-39H2,1-2H3,(H,58,59)/b11-10-,18-15-,20-17-,27-24+,29-26-,30-6-,35-31+/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230094

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-8-9-10-11-12-13-16-20-23-26-29-33-37-43(52)62-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)38-60-42(51)36-32-28-25-22-19-17-14-15-18-21-24-27-31-35-40(50)34-30-6-4-2/h6,10-11,15,17-19,24-25,27-28,30-31,35,40-41,44-50,53-57H,3-5,7-9,12-14,16,20-23,26,29,32-34,36-39H2,1-2H3,(H,58,59)/b11-10-,18-15-,19-17-,27-24+,28-25-,30-6-,35-31+/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230097

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C49H81O14P/c1-3-5-7-8-9-10-11-12-13-14-18-21-24-27-31-35-42(50)59-37-39(38-60-64(57,58)63-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)36-32-28-25-22-19-16-15-17-20-23-26-30-34-41-40(62-41)33-29-6-4-2/h6,10-11,16-17,19-20,25-26,28-30,39-41,44-49,52-56H,3-5,7-9,12-15,18,21-24,27,31-38H2,1-2H3,(H,57,58)/b11-10-,19-16-,20-17-,28-25-,29-6-,30-26-/t39-,40?,41?,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230098

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C49H81O14P/c1-3-5-7-8-9-10-11-12-13-14-19-22-25-28-32-36-43(51)61-39(38-60-64(57,58)63-49-47(55)45(53)44(52)46(54)48(49)56)37-59-42(50)35-31-27-24-21-18-16-15-17-20-23-26-30-34-41-40(62-41)33-29-6-4-2/h6,10-11,16-18,20,24,26-27,29-30,39-41,44-49,52-56H,3-5,7-9,12-15,19,21-23,25,28,31-38H2,1-2H3,(H,57,58)/b11-10-,18-16-,20-17-,27-24-,29-6-,30-26-/t39-,40?,41?,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230191

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40(50)36-37-43(52)62-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)38-60-42(51)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,32,34,40-41,44-50,53-57H,3-4,6,8-10,12,14-16,21,23,25-27,29,31,33,35-39H2,1-2H3,(H,58,59)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,34-32-/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230192

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40(50)36-37-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,32,34,40-41,44-50,53-57H,3-4,6,8-10,12,14-16,21,23,25-27,29,31,33,35-39H2,1-2H3,(H,58,59)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,34-32-/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230193

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-36-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)37-33-29-31-35-40(50)34-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,29-31,34,40-41,44-50,53-57H,3-5,7,9-11,13,15-16,20,22-24,26,28,32-33,35-39H2,1-2H3,(H,58,59)/b8-6-,14-12-,18-17-,21-19-,27-25-,31-29-,34-30-/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230194

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-37-43(52)62-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)38-60-42(51)36-33-29-31-35-40(50)34-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,29-31,34,40-41,44-50,53-57H,3-5,7,9-11,13,15-16,20,22-24,26,28,32-33,35-39H2,1-2H3,(H,58,59)/b8-6-,14-12-,18-17-,21-19-,27-25-,31-29-,34-30-/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230195

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-12-13-14-15-16-17-21-24-28-32-36-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)37-33-29-25-22-19-18-20-23-27-31-35-40(50)34-30-26-10-8-6-4-2/h6,8,14-15,18-19,23,25-27,29-31,35,40-41,44-50,53-57H,3-5,7,9-13,16-17,20-22,24,28,32-34,36-39H2,1-2H3,(H,58,59)/b8-6-,15-14-,19-18-,27-23-,29-25-,30-26-,35-31+/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230196

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-9-11-12-13-14-15-16-17-22-25-29-33-37-43(52)62-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)38-60-42(51)36-32-28-24-21-19-18-20-23-27-31-35-40(50)34-30-26-10-8-6-4-2/h6,8,14-15,18-19,23-24,26-28,30-31,35,40-41,44-50,53-57H,3-5,7,9-13,16-17,20-22,25,29,32-34,36-39H2,1-2H3,(H,58,59)/b8-6-,15-14-,19-18-,27-23-,28-24-,30-26-,35-31+/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230197

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-8-9-10-11-12-13-16-19-22-25-28-32-36-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)37-33-29-26-23-20-17-14-15-18-21-24-27-31-35-40(50)34-30-6-4-2/h6,12-13,15,17-18,20,24,26-27,29-31,35,40-41,44-50,53-57H,3-5,7-11,14,16,19,21-23,25,28,32-34,36-39H2,1-2H3,(H,58,59)/b13-12-,18-15-,20-17-,27-24+,29-26-,30-6-,35-31+/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230198

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C49H81O14P/c1-3-5-7-8-9-10-11-12-13-16-20-23-26-29-33-37-43(52)62-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)38-60-42(51)36-32-28-25-22-19-17-14-15-18-21-24-27-31-35-40(50)34-30-6-4-2/h6,12-13,15,17-19,24-25,27-28,30-31,35,40-41,44-50,53-57H,3-5,7-11,14,16,20-23,26,29,32-34,36-39H2,1-2H3,(H,58,59)/b13-12-,18-15-,19-17-,27-24+,28-25-,30-6-,35-31+/t40?,41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230201

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C49H81O14P/c1-3-5-7-8-9-10-11-12-13-14-18-21-24-27-31-35-42(50)59-37-39(38-60-64(57,58)63-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)36-32-28-25-22-19-16-15-17-20-23-26-30-34-41-40(62-41)33-29-6-4-2/h6,12-13,16-17,19-20,25-26,28-30,39-41,44-49,52-56H,3-5,7-11,14-15,18,21-24,27,31-38H2,1-2H3,(H,57,58)/b13-12-,19-16-,20-17-,28-25-,29-6-,30-26-/t39-,40?,41?,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
117230202

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C49H81O14P/c1-3-5-7-8-9-10-11-12-13-14-19-22-25-28-32-36-43(51)61-39(38-60-64(57,58)63-49-47(55)45(53)44(52)46(54)48(49)56)37-59-42(50)35-31-27-24-21-18-16-15-17-20-23-26-30-34-41-40(62-41)33-29-6-4-2/h6,12-13,16-18,20,24,26-27,29-30,39-41,44-49,52-56H,3-5,7-11,14-15,19,21-23,25,28,31-38H2,1-2H3,(H,57,58)/b13-12-,18-16-,20-17-,27-24-,29-6-,30-26-/t39-,40?,41?,44-,45-,46+,47-,48-,49-/m1/s1
C49H81O14P925.13281100
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