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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 15 results

Search term: FABUFPQFXZVHFB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20145579


Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
C27H42N2O5S506.697866682284
4949236

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17-,20-,21+,22-,24-,27+/m0/s1
C27H42N2O5S506.6978101000
57618563

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/t15-,17+,20-,21-,22-,24-,27+/m0/s1
C27H42N2O5S506.697810800
58825425

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20?,21-,22-,24-,27+/m0/s1
C27H42N2O5S506.69782200
7981986

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24+,27+/m0/s1
C27H42N2O5S506.69782100
8024816

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17-,20+,21+,22-,24-,27+/m1/s1
C27H42N2O5S506.69782100
33824052

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11-/t15-,17+,20-,21-,22-,24-,27+/m0/s1
C27H42N2O5S506.69781100
68026807

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20?,21-,22-,24+,27+/m0/s1
C27H42N2O5S506.69781100
82962805

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/t15-,17+,20-,21-,22-,24?,27+/m0/s1
C27H42N2O5S506.69781100
96316770

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24?,27+/m0/s1
C27H42N2O5S506.69781100
107450680

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1/i4+1,18+1,28+1
C2513C2H42N15NO5S509.67651100
107451205

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1/i4D3
C27H39D3N2O5S509.71631300
128925572

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/t15-,17+,20-,21-,22-,24-,27-/m0/s1
C27H42N2O5S506.69781100

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