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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 33 results

Search term: C46H81O13P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113377851

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,27,29,38,41-46,49-53H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113377970

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(48)58-38(36-56-39(47)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h11,13,17-18,20-21,23,25,38,41-46,49-53H,3-10,12,14-16,19,22,24,26-37H2,1-2H3,(H,54,55)/b13-11-,18-17-,21-20-,25-23-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378080

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,16-19,21,23,38,41-46,49-53H,3-10,12,14-15,20,22,24-37H2,1-2H3,(H,54,55)/b13-11-,18-16-,19-17-,23-21-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378109

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h10-13,16-19,38,41-46,49-53H,3-9,14-15,20-37H2,1-2H3,(H,54,55)/b12-10-,13-11-,18-16-,19-17-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378195

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18-21,24,26,38,41-46,49-53H,3-11,13,15-17,22-23,25,27-37H2,1-2H3,(H,54,55)/b14-12-,20-18-,21-19-,26-24-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378223

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18-21,38,41-46,49-53H,3-5,7,9-11,13,15-17,22-37H2,1-2H3,(H,54,55)/b8-6-,14-12-,20-18-,21-19-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378253

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,38,41-46,49-53H,3-5,7,9-11,13,15-17,19,21-23,25,27-37H2,1-2H3,(H,54,55)/b8-6-,14-12-,20-18-,26-24-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378277

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,38,41-46,49-53H,3-5,7,9-11,13,15-17,19,21-24,26,28-37H2,1-2H3,(H,54,55)/b8-6-,14-12-,20-18-,27-25-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378305

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18-21,25,27,38,41-46,49-53H,3-11,13,15-17,22-24,26,28-37H2,1-2H3,(H,54,55)/b14-12-,20-18-,21-19-,27-25-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378306

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18-21,38,41-46,49-53H,3-5,7,9-11,13,15-17,22-37H2,1-2H3,(H,54,55)/b8-6-,14-12-,20-18-,21-19-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378379

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h10-13,16-19,38,41-46,49-53H,3-9,14-15,20-37H2,1-2H3,(H,54,55)/b12-10-,13-11-,18-16-,19-17-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378409

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h11,13,16-19,21,23,38,41-46,49-53H,3-10,12,14-15,20,22,24-37H2,1-2H3,(H,54,55)/b13-11-,18-16-,19-17-,23-21-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
113378438

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,26,28,38,41-46,49-53H,3-10,12,14-16,18,20,22,24-25,27,29-37H2,1-2H3,(H,54,55)/b13-11-,19-17-,23-21-,28-26-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
C46H81O13P873.10131100
117224378

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C46H81O13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-34-45(52)56-38-42(39-58-60(54,55)57-37-41(49)36-47)59-46(53)35-29-33-44(51)43(50)32-27-23-21-20-22-26-31-40(48)30-25-6-4-2/h12-13,20-23,26-27,31-32,40-44,47-51H,3-11,14-19,24-25,28-30,33-39H2,1-2H3,(H,54,55)/b13-12-,22-20-,23-21+,31-26+,32-27+/t40-,41-,42+,43-,44-/m0/s1
C46H81O13P873.10131100
117224379

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C46H81O13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-34-46(53)59-42(39-58-60(54,55)57-37-41(49)36-47)38-56-45(52)35-29-33-44(51)43(50)32-27-23-21-20-22-26-31-40(48)30-25-6-4-2/h12-13,20-23,26-27,31-32,40-44,47-51H,3-11,14-19,24-25,28-30,33-39H2,1-2H3,(H,54,55)/b13-12-,22-20-,23-21+,31-26+,32-27+/t40-,41+,42-,43-,44-/m1/s1
C46H81O13P873.10131100
117226302

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C46H81O13P/c1-4-5-22-29-40(48)30-24-19-16-17-20-25-31-43(50)44(51)32-27-34-46(53)59-42(38-58-60(54,55)57-36-41(49)35-47)37-56-45(52)33-26-21-15-13-11-9-7-6-8-10-12-14-18-23-28-39(2)3/h5,16-17,19-20,22,24-25,30-31,39-44,47-51H,4,6-15,18,21,23,26-29,32-38H2,1-3H3,(H,54,55)/b19-16+,20-17-,22-5-,30-24+,31-25-/t40-,41-,42+,43+,44+/m0/s1
C46H81O13P873.10131100
117226303

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C46H81O13P/c1-4-5-22-29-40(48)30-24-19-16-17-20-25-31-43(50)44(51)32-27-34-45(52)56-37-42(38-58-60(54,55)57-36-41(49)35-47)59-46(53)33-26-21-15-13-11-9-7-6-8-10-12-14-18-23-28-39(2)3/h5,16-17,19-20,22,24-25,30-31,39-44,47-51H,4,6-15,18,21,23,26-29,32-38H2,1-3H3,(H,54,55)/b19-16+,20-17-,22-5-,30-24+,31-25-/t40-,41+,42-,43+,44+/m1/s1
C46H81O13P873.10131100
128427581

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C46H81O13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-45(52)56-36-40(37-58-60(54,55)57-35-39(49)34-47)59-46(53)30-26-22-21-24-28-41-42(44(51)33-43(41)50)32-31-38(48)27-23-6-4-2/h12-13,21,24,31-32,38-42,44,47-49,51H,3-11,14-20,22-23,25-30,33-37H2,1-2H3,(H,54,55)/b13-12-,24-21-,32-31+/t38-,39-,40+,41+,42+,44+/m0/s1
C46H81O13P873.10131100
128427582

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C46H81O13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-30-46(53)59-40(37-58-60(54,55)57-35-39(49)34-47)36-56-45(52)29-25-22-21-24-28-41-42(44(51)33-43(41)50)32-31-38(48)27-23-6-4-2/h12-13,21,24,31-32,38-42,44,47-49,51H,3-11,14-20,22-23,25-30,33-37H2,1-2H3,(H,54,55)/b13-12-,24-21-,32-31+/t38-,39-,40+,41+,42+,44+/m0/s1
C46H81O13P873.10131100
128427583

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C46H81O13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-45(52)56-36-40(37-58-60(54,55)57-35-39(49)34-47)59-46(53)30-26-22-21-24-28-41-42(44(51)33-43(41)50)32-31-38(48)27-23-6-4-2/h12-13,21,24,31-32,38-43,47-50H,3-11,14-20,22-23,25-30,33-37H2,1-2H3,(H,54,55)/b13-12-,24-21-,32-31+/t38-,39-,40+,41+,42+,43-/m0/s1
C46H81O13P873.10131100
12

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