1-ethyl-4-oxidanylidene-6,7,8-tris(phenylsulfanyl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-4-oxidanylidene-6,7,8-tris(phenylsulfanyl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-6,7,8-tris(phenylsulfanyl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-6,7,8-tris(phenylthio)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-4-oxo-6,7,8-tris(phenylsulfanyl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-6,7,8-tris(phenylthio)quinoline-3-carboxylic acid Formula: C30H23NO3S3 MolecularWeight: 541.70352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)SC3=CC=CC=C3)SC4=CC=CC=C4)SC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)SC3=CC=CC=C3)SC4=CC=CC=C4)SC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H23NO3S3/c1-2-31-19-24(30(33)34)27(32)23-18-25(35-20-12-6-3-7-13-20)28(36-21-14-8-4-9-15-21)29(26(23)31)37-22-16-10-5-11-17-22/h3-19H,2H2,1H3,(H,33,34)