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 5 results

Search term: WGCYSNZQQDRSOL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4751061

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H29N3O5/c1-30-14-18(10-16-6-8-21(31-2)23(11-16)33-4)26-20(15-30)25(19(13-28)27(29)35-26)17-7-9-22(32-3)24(12-17)34-5/h6-12,25H,14-15,29H2,1-5H3/b18-10+
C27H29N3O5475.5363181200
17514868

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H29N3O5/c1-30-14-18(10-16-6-8-21(31-2)23(11-16)33-4)26-20(15-30)25(19(13-28)27(29)35-26)17-7-9-22(32-3)24(12-17)34-5/h6-12,25H,14-15,29H2,1-5H3/b18-10-
C27H29N3O5475.53636300
3026509

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H29N3O5/c1-30-14-18(10-16-6-8-21(31-2)23(11-16)33-4)26-20(15-30)25(19(13-28)27(29)35-26)17-7-9-22(32-3)24(12-17)34-5/h6-12,25H,14-15,29H2,1-5H3
C27H29N3O5475.536264200
62684588

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H29N3O5/c1-30-14-18(10-16-6-8-21(31-2)23(11-16)33-4)26-20(15-30)25(19(13-28)27(29)35-26)17-7-9-22(32-3)24(12-17)34-5/h6-12,25H,14-15,29H2,1-5H3/b18-10-/t25-/m0/s1
C27H29N3O5475.53632200
62376318

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H29N3O5/c1-30-14-18(10-16-6-8-21(31-2)23(11-16)33-4)26-20(15-30)25(19(13-28)27(29)35-26)17-7-9-22(32-3)24(12-17)34-5/h6-12,25H,14-15,29H2,1-5H3/b18-10+/t25-/m1/s1
C27H29N3O5475.53631100

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