2-(3-nitro-2-oxidanylidene-chromen-4-yl)sulfanylbenzoic acid

Systemtic Name: 2-(3-nitro-2-oxidanylidene-chromen-4-yl)sulfanylbenzoic acid Openeye Name: 2-(3-nitro-2-oxo-chromen-4-yl)sulfanylbenzoic acid CAS Name: 2-[(3-nitro-2-oxo-1-benzopyran-4-yl)thio]benzoic acid IUPAC Name: 2-(3-nitro-2-oxochromen-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-keto-3-nitro-chromen-4-yl)thio]benzoic acid Formula: C16H9NO6S MolecularWeight: 343.31076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H9NO6S/c18-15(19)10-6-2-4-8-12(10)24-14-9-5-1-3-7-11(9)23-16(20)13(14)17(21)22/h1-8H,(H,18,19)