2-(4-methanoyl-2-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(4-methanoyl-2-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 2-(4-formyl-2-nitro-phenyl)sulfanylbenzoic acid CAS Name: 2-[(4-formyl-2-nitrophenyl)thio]benzoic acid IUPAC Name: 2-(4-formyl-2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 2-[(4-formyl-2-nitro-phenyl)thio]benzoic acid Formula: C14H9NO5S MolecularWeight: 303.28996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H9NO5S/c16-8-9-5-6-13(11(7-9)15(19)20)21-12-4-2-1-3-10(12)14(17)18/h1-8H,(H,17,18)