[3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-chromen-4-yl] 2-chloranylbenzoate

Systemtic Name: [3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-chromen-4-yl] 2-chloranylbenzoate Openeye Name: [3-(4-nitrophenyl)sulfanyl-2-oxo-chromen-4-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [3-[(4-nitrophenyl)thio]-2-oxo-1-benzopyran-4-yl] ester IUPAC Name: [3-(4-nitrophenyl)sulfanyl-2-oxochromen-4-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-keto-3-[(4-nitrophenyl)thio]chromen-4-yl] ester Formula: C22H12ClNO6S MolecularWeight: 453.85178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)SC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)SC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H12ClNO6S/c23-17-7-3-1-5-15(17)21(25)30-19-16-6-2-4-8-18(16)29-22(26)20(19)31-14-11-9-13(10-12-14)24(27)28/h1-12H