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 6 results

Search term: KCOKHHAGIKJJBC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3591946

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H15N3O6S/c21-17(22)14(9-11-10-18-13-6-2-1-5-12(11)13)19-27(25,26)16-8-4-3-7-15(16)20(23)24/h1-8,10,14,18-19H,9H2,(H,21,22)
C17H15N3O6S389.3825292000
1302263

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H15N3O6S/c21-17(22)14(9-11-10-18-13-6-2-1-5-12(11)13)19-27(25,26)16-8-4-3-7-15(16)20(23)24/h1-8,10,14,18-19H,9H2,(H,21,22)/t14-/m0/s1
C17H15N3O6S389.382513700
1302265

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H15N3O6S/c21-17(22)14(9-11-10-18-13-6-2-1-5-12(11)13)19-27(25,26)16-8-4-3-7-15(16)20(23)24/h1-8,10,14,18-19H,9H2,(H,21,22)/t14-/m1/s1
C17H15N3O6S389.38254300
3591945

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H15N3O6S/c21-17(22)14(9-11-10-18-13-6-2-1-5-12(11)13)19-27(25,26)16-8-4-3-7-15(16)20(23)24/h1-8,10,14,18-19H,9H2,(H,21,22)/p-1
C17H14N3O6S388.374561100
1302264

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H15N3O6S/c21-17(22)14(9-11-10-18-13-6-2-1-5-12(11)13)19-27(25,26)16-8-4-3-7-15(16)20(23)24/h1-8,10,14,18-19H,9H2,(H,21,22)/p-1/t14-/m1/s1
C17H14N3O6S388.37511100
1302262

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H15N3O6S/c21-17(22)14(9-11-10-18-13-6-2-1-5-12(11)13)19-27(25,26)16-8-4-3-7-15(16)20(23)24/h1-8,10,14,18-19H,9H2,(H,21,22)/p-1/t14-/m0/s1
C17H14N3O6S388.37511100

Advertisement