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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 32 results

Search term: C45H76NO10P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113376263

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(48)56-41(39-54-57(51,52)55-40-42(46)45(49)50)38-53-43(47)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h10-13,16-19,21-22,25,27,41-42H,3-9,14-15,20,23-24,26,28-40,46H2,1-2H3,(H,49,50)(H,51,52)/b12-10-,13-11-,18-16-,19-17-,22-21-,27-25-/t41-,42+/m1/s1
C45H76NO10P822.05941100
113376369

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)56-41(39-54-57(51,52)55-40-42(46)45(49)50)38-53-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-23,25,29,31,41-42H,3-4,6,8-10,12,14-16,18,21,24,26-28,30,32-40,46H2,1-2H3,(H,49,50)(H,51,52)/b7-5-,13-11-,19-17-,22-20-,25-23-,31-29-/t41-,42+/m1/s1
C45H76NO10P822.05941100
113376430

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-43(47)53-38-41(39-54-57(51,52)55-40-42(46)45(49)50)56-44(48)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-24,28,30,41-42H,3-4,6,8-10,12,14-16,18,21,25-27,29,31-40,46H2,1-2H3,(H,49,50)(H,51,52)/b7-5-,13-11-,19-17-,22-20-,24-23-,30-28-/t41-,42+/m1/s1
C45H76NO10P822.05941100
117217621

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-29-35-44(49)53-39-43(40-55-57(51,52)54-38-37-46)56-45(50)36-30-24-28-34-42(48)33-27-22-19-17-18-21-26-32-41(47)31-25-6-4-2/h6,10-11,18-19,21-22,25-28,32-34,41-43,47-48H,3-5,7-9,12-17,20,23-24,29-31,35-40,46H2,1-2H3,(H,51,52)/b11-10-,21-18-,22-19-,25-6-,32-26+,33-27+,34-28-/t41-,42-,43+/m0/s1
C45H76NO10P822.05941100
117217622

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-29-36-45(50)56-43(40-55-57(51,52)54-38-37-46)39-53-44(49)35-30-24-28-34-42(48)33-27-22-19-17-18-21-26-32-41(47)31-25-6-4-2/h6,10-11,18-19,21-22,25-28,32-34,41-43,47-48H,3-5,7-9,12-17,20,23-24,29-31,35-40,46H2,1-2H3,(H,51,52)/b11-10-,21-18-,22-19-,25-6-,32-26+,33-27+,34-28-/t41-,42-,43-/m1/s1
C45H76NO10P822.05941100
117217637

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-29-35-44(49)53-39-43(40-55-57(51,52)54-38-37-46)56-45(50)36-30-22-19-18-20-26-32-42(48)34-28-24-23-27-33-41(47)31-25-6-4-2/h6,10-11,19-20,22-28,33-34,41-43,47-48H,3-5,7-9,12-18,21,29-32,35-40,46H2,1-2H3,(H,51,52)/b11-10-,22-19-,24-23-,25-6-,26-20-,33-27+,34-28+/t41-,42+,43+/m0/s1
C45H76NO10P822.05941100
117217638

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-30-36-45(50)56-43(40-55-57(51,52)54-38-37-46)39-53-44(49)35-29-21-19-18-20-26-32-42(48)34-28-24-23-27-33-41(47)31-25-6-4-2/h6,10-11,19-21,23-28,33-34,41-43,47-48H,3-5,7-9,12-18,22,29-32,35-40,46H2,1-2H3,(H,51,52)/b11-10-,21-19-,24-23-,25-6-,26-20-,33-27+,34-28+/t41-,42+,43-/m1/s1
C45H76NO10P822.05941100
117217707

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-29-35-44(49)53-39-43(40-55-57(51,52)54-38-37-46)56-45(50)36-30-24-28-34-42(48)33-27-22-19-17-18-21-26-32-41(47)31-25-6-4-2/h6,12-13,18-19,21-22,25-28,32-34,41-43,47-48H,3-5,7-11,14-17,20,23-24,29-31,35-40,46H2,1-2H3,(H,51,52)/b13-12-,21-18-,22-19-,25-6-,32-26+,33-27+,34-28-/t41-,42-,43+/m0/s1
C45H76NO10P822.05941100
117217708

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-29-36-45(50)56-43(40-55-57(51,52)54-38-37-46)39-53-44(49)35-30-24-28-34-42(48)33-27-22-19-17-18-21-26-32-41(47)31-25-6-4-2/h6,12-13,18-19,21-22,25-28,32-34,41-43,47-48H,3-5,7-11,14-17,20,23-24,29-31,35-40,46H2,1-2H3,(H,51,52)/b13-12-,21-18-,22-19-,25-6-,32-26+,33-27+,34-28-/t41-,42-,43-/m1/s1
C45H76NO10P822.05941100
117217723

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-29-35-44(49)53-39-43(40-55-57(51,52)54-38-37-46)56-45(50)36-30-22-19-18-20-26-32-42(48)34-28-24-23-27-33-41(47)31-25-6-4-2/h6,12-13,19-20,22-28,33-34,41-43,47-48H,3-5,7-11,14-18,21,29-32,35-40,46H2,1-2H3,(H,51,52)/b13-12-,22-19-,24-23-,25-6-,26-20-,33-27+,34-28+/t41-,42+,43+/m0/s1
C45H76NO10P822.05941100
117217724

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-30-36-45(50)56-43(40-55-57(51,52)54-38-37-46)39-53-44(49)35-29-21-19-18-20-26-32-42(48)34-28-24-23-27-33-41(47)31-25-6-4-2/h6,12-13,19-21,23-28,33-34,41-43,47-48H,3-5,7-11,14-18,22,29-32,35-40,46H2,1-2H3,(H,51,52)/b13-12-,21-19-,24-23-,25-6-,26-20-,33-27+,34-28+/t41-,42+,43-/m1/s1
C45H76NO10P822.05941100
117218365

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-29-35-44(49)53-39-43(40-55-57(51,52)54-38-37-46)56-45(50)36-30-34-42(48)33-28-25-24-27-32-41(47)31-26-22-10-8-6-4-2/h14-15,17-18,20-22,24-28,32-33,41-43,47-48H,3-13,16,19,23,29-31,34-40,46H2,1-2H3,(H,51,52)/b15-14-,18-17-,21-20-,25-24+,26-22-,32-27+,33-28-/t41-,42-,43+/m0/s1
C45H76NO10P822.05941100
117218366

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-29-35-45(50)56-43(40-55-57(51,52)54-38-37-46)39-53-44(49)36-30-34-42(48)33-28-25-24-27-32-41(47)31-26-22-10-8-6-4-2/h14-15,17-18,20-22,24-28,32-33,41-43,47-48H,3-13,16,19,23,29-31,34-40,46H2,1-2H3,(H,51,52)/b15-14-,18-17-,21-20-,25-24+,26-22-,32-27+,33-28-/t41-,42-,43-/m1/s1
C45H76NO10P822.05941100
117218399

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-35-44(49)53-39-43(40-55-57(51,52)54-38-37-46)56-45(50)36-30-34-42(48)33-28-24-21-19-20-23-27-32-41(47)31-26-6-4-2/h12-13,15-16,18,20-24,27-28,32-33,41-43,47-48H,3-11,14,17,19,25-26,29-31,34-40,46H2,1-2H3,(H,51,52)/b13-12-,16-15-,22-18-,23-20-,24-21-,32-27+,33-28+/t41-,42-,43-/m1/s1
C45H76NO10P822.05941100
117218400

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-35-45(50)56-43(40-55-57(51,52)54-38-37-46)39-53-44(49)36-30-34-42(48)33-28-24-21-19-20-23-27-32-41(47)31-26-6-4-2/h12-13,15-16,18,20-24,27-28,32-33,41-43,47-48H,3-11,14,17,19,25-26,29-31,34-40,46H2,1-2H3,(H,51,52)/b13-12-,16-15-,22-18-,23-20-,24-21-,32-27+,33-28+/t41-,42-,43+/m0/s1
C45H76NO10P822.05941100
117218401

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-35-44(49)53-39-41(40-55-57(51,52)54-38-37-46)56-45(50)36-32-34-43(48)42(47)33-30-28-26-24-22-16-14-12-10-8-6-4-2/h6,8,12,14,17-18,20-22,24-25,27-28,30,41-43,47-48H,3-5,7,9-11,13,15-16,19,23,26,29,31-40,46H2,1-2H3,(H,51,52)/b8-6-,14-12-,18-17-,21-20-,24-22-,27-25-,30-28-/t41-,42-,43-/m1/s1
C45H76NO10P822.05941100
117218402

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-35-45(50)56-41(40-55-57(51,52)54-38-37-46)39-53-44(49)36-32-34-43(48)42(47)33-30-28-26-24-22-16-14-12-10-8-6-4-2/h6,8,12,14,17-18,20-22,24-25,27-28,30,41-43,47-48H,3-5,7,9-11,13,15-16,19,23,26,29,31-40,46H2,1-2H3,(H,51,52)/b8-6-,14-12-,18-17-,21-20-,24-22-,27-25-,30-28-/t41-,42+,43+/m1/s1
C45H76NO10P822.05941100
117218451

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-29-35-44(49)53-39-43(40-55-57(51,52)54-38-37-46)56-45(50)36-30-34-42(48)33-28-25-24-27-32-41(47)31-26-22-10-8-6-4-2/h11-12,14-15,17-18,22,24-28,32-33,41-43,47-48H,3-10,13,16,19-21,23,29-31,34-40,46H2,1-2H3,(H,51,52)/b12-11-,15-14-,18-17-,25-24+,26-22-,32-27+,33-28-/t41-,42-,43+/m0/s1
C45H76NO10P822.05941100
117218452

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-29-35-45(50)56-43(40-55-57(51,52)54-38-37-46)39-53-44(49)36-30-34-42(48)33-28-25-24-27-32-41(47)31-26-22-10-8-6-4-2/h11-12,14-15,17-18,22,24-28,32-33,41-43,47-48H,3-10,13,16,19-21,23,29-31,34-40,46H2,1-2H3,(H,51,52)/b12-11-,15-14-,18-17-,25-24+,26-22-,32-27+,33-28-/t41-,42-,43-/m1/s1
C45H76NO10P822.05941100
117218485

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C45H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-35-44(49)53-39-43(40-55-57(51,52)54-38-37-46)56-45(50)36-30-34-42(48)33-28-24-21-19-20-23-27-32-41(47)31-26-6-4-2/h9-10,12-13,15-16,20-21,23-24,27-28,32-33,41-43,47-48H,3-8,11,14,17-19,22,25-26,29-31,34-40,46H2,1-2H3,(H,51,52)/b10-9-,13-12-,16-15-,23-20-,24-21-,32-27+,33-28+/t41-,42-,43-/m1/s1
C45H76NO10P822.05941100
12

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