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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 11 results

Search term: RLYFYROONDDGHK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20100309

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,25-,27-,29-,30-,31-/m0/s1
C31H46O6514.693310900
77499149

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22-,23+,25-,27-,29-,30-,31-/m0/s1
C31H46O6514.69333300
77498591

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22-,23+,25+,27+,29+,30-,31+/m1/s1
C31H46O6514.69332100
29790366

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18?,21?,22?,23?,25-,27-,29-,30?,31-/m0/s1
C31H46O6514.69331100
60498411

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/t18-,21-,22-,23+,25-,27-,29-,30-,31-/m0/s1
C31H46O6514.69331100
111310147

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22-,23+,25+,27+,29+,30-,31+/m0/s1
C31H46O6514.69331100
113603385

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,25-,27-,29-,30-,31-/m1/s1
C31H46O6514.69331100
114392959

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23?,25-,27-,29-,30-,31-/m0/s1
C31H46O6514.69331100
115040744

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,25+,27-,29-,30-,31-/m0/s1
C31H46O6514.69331100

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