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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 38 results

Search term: QXRSDHAAWVKZLJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10213816

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
C27H41NO6S507.68251018822641
394948

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17-,20-,21+,22-,24-,27+/m0/s1
C27H41NO6S507.6825101100
57618155

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/t15-,17+,20-,21-,22-,24-,27+/m0/s1
C27H41NO6S507.68257500
3655015

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3
C27H41NO6S507.682545200
29314810

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20+,21+,22-,24-,27+/m0/s1
C27H41NO6S507.68254200
58825894

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24?,27+/m0/s1
C27H41NO6S507.68253300
8729044

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27-/m0/s1
C27H41NO6S507.68253200
344722

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/t15-,17-,20-,21+,22-,24-,27+/m0/s1
C27H41NO6S507.68253200
8729111

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15?,17?,20?,21?,22-,24?,27+/m0/s1/i34+2
C27H41NO518OS509.68232200
8777165

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15?,17?,20?,21?,22-,24?,27+/m0/s1/i35+3
C27H41NO635S510.58662200
8777282

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15?,17?,20?,21?,22-,24?,27+/m0/s1/i15+1,16+1,17+1,26+1,27+1,34+2
C2213C5H41NO518OS514.64562200
8943864

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15?,17?,20?,21?,22-,24?,27+/m0/s1/i1+1,2+1,3+1,4+1,5+1,7+1,8+1,9+1,10+1,12+1,13+1,15+1,16+1,17+1,18+1,20+1,21+1,22+1,23+1,24+1,25+1,26+1,27+1/t15?,17?,20?,21?,22-,24?,26?,27+
C413C23H41NO6S530.51362200
8990821

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15?,17?,20?,21?,22-,24?,27+/m0/s1/i5+1/t15?,17?,20?,21?,22-,24?,26?,27+
C2613CH41NO6S508.67522200
9014778

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15?,17?,20?,21?,22-,24?,27+/m0/s1/i10+1,20+1,21+1,24+1,25+1
C2213C5H41NO6S512.64582200
9115375

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22+,24-,27-/m0/s1
C27H41NO6S507.68252100
9447149

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17-,20+,21+,22+,24+,27-/m1/s1
C27H41NO6S507.68252100
30809547

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20+,21-,22?,24?,27+/m0/s1
C27H41NO6S507.682542300
8024843

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22?,24-,27+/m0/s1
C27H41NO6S507.68252100
8404678

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11-/t15-,17+,20-,21-,22-,24-,27+/m0/s1
C27H41NO6S507.68252100
12

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