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
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Found 5 results

Search term: LCLQBIPYLKZKLH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7910135

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H21N3O2/c1-2-17-30-23-16-10-9-15-21(23)24(26(30)32)28-29-25(31)22-18-27(22,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h1,3-16,22H,17-18H2,(H,29,31)/b28-24-
C27H21N3O2419.4745161300
21335540

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H21N3O2/c1-2-17-30-23-16-10-9-15-21(23)24(26(30)32)28-29-25(31)22-18-27(22,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h1,3-16,22H,17-18H2,(H,29,31)/b28-24+
C27H21N3O2419.47455400
5210593

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H21N3O2/c1-2-17-30-23-16-10-9-15-21(23)24(26(30)32)28-29-25(31)22-18-27(22,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h1,3-16,22H,17-18H2,(H,29,31)
C27H21N3O2419.47454300
4602638

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H21N3O2/c1-2-17-30-23-16-10-9-15-21(23)24(26(30)32)28-29-25(31)22-18-27(22,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h1,3-16,22H,17-18H2,(H,29,31)/b28-24+/t22-/m1/s1
C27H21N3O2419.47452100
4602639

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H21N3O2/c1-2-17-30-23-16-10-9-15-21(23)24(26(30)32)28-29-25(31)22-18-27(22,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h1,3-16,22H,17-18H2,(H,29,31)/b28-24+/t22-/m0/s1
C27H21N3O2419.47452100

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