Matches any text strings used to describe a molecule.
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 7 results

Search term: WILYBKPDJRBLGL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8434493

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3/b23-14+/t19-,20+,21-,22-,24-,25-,26-,27+,28-,29+,32-,34-,35+,36+/m1/s1
C36H54O12678.80685400
4978744

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3/b23-14+
C36H54O12678.80683300
433832

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3
C36H54O12678.80682100
10143472

Double-bond stereo

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3/b23-14+/t19-,20+,21+,22-,24-,25-,26-,27+,28?,29+,32?,34-,35+,36?/m1/s1
C36H54O12678.80682100
75571011

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3/b23-14+/t19-,20+,21-,22-,24-,25-,26-,27?,28-,29+,32-,34-,35+,36+/m0/s1
C36H54O12678.80681100

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