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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: WPMGNXPRKGXGBO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943557

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1
C29H44O8520.6549232400
57422731

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16-/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1
C29H44O8520.65498700
4445183

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23+,24+,25-,26-,27+,29+/m0/s1
C29H44O8520.654865400
32813316

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19+,20+,22-,23-,24+,25+,26-,27-,29-/m0/s1
C29H44O8520.65494400
10128249

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29?/m0/s1
C29H44O8520.65493300
3686070

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3
C29H44O8520.654863200
8273725

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22+,23-,24+,25-,26-,27+,29+/m0/s1
C29H44O8520.65492100
58825917

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26?,27+,29+/m0/s1
C29H44O8520.65492200
78430601

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m1/s1
C29H44O8520.65491100
78432075

Double-bond stereo

2 of 10 defined stereocentres - 2/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/t18?,19?,20?,22?,23?,24?,25?,26-,27?,29-/m1/s1
C29H44O8520.65491100
78444889

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+
C29H44O8520.65491100
79715747

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16-/t18?,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1
C29H44O8520.65491100

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