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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 14 results

Search term: ZLBGSRMUSVULIE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8004083

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.6769395443
32699277

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.6769141200
10444762

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-
C31H44O7528.67694200
30988548

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.67693100
4941262

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8-/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.67693300
58818847

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.67691100
65322383

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9-,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.67691100
74092038

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24?,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.67691100
79715746

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-/t18?,20-,22-,24+,25+,26-,27+,28-,30-,31-/m0/s1
C31H44O7528.67691100
79715893

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-/t18-,20-,22+,24+,25+,26+,27+,28?,30-,31+/m0/s1
C31H44O7528.67691100
111307046

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9-,23-8-/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m1/s1
C31H44O7528.67691100
115284984

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6-,19-9+,23-8-/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1
C31H44O7528.67691100

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