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

Systemtic Name: [3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-chromen-4-yl] 2-nitrobenzoate Openeye Name: [3-(2-nitrophenyl)sulfanyl-2-oxo-chromen-4-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-[(2-nitrophenyl)thio]-2-oxo-1-benzopyran-4-yl] ester IUPAC Name: [3-(2-nitrophenyl)sulfanyl-2-oxochromen-4-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-3-[(2-nitrophenyl)thio]chromen-4-yl] ester Formula: C22H12N2O8S MolecularWeight: 464.40428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H12N2O8S/c25-21(13-7-1-3-9-15(13)23(27)28)32-19-14-8-2-5-11-17(14)31-22(26)20(19)33-18-12-6-4-10-16(18)24(29)30/h1-12H