[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (6,7-dihydroxy-2-oxo-chromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (6,7-dihydroxy-2-keto-chromen-4-yl)methyl ester Formula: C24H15NO6S MolecularWeight: 445.444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)O)O

InChI

InChI=1S/C24H15NO6S/c25-12-14-5-1-3-7-21(14)32-22-8-4-2-6-16(22)24(29)30-13-15-9-23(28)31-20-11-19(27)18(26)10-17(15)20/h1-11,26-27H,13H2