4-(2-carboxylatophenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: 4-(2-carboxylatophenyl)sulfanyl-3-nitro-benzoate Openeye Name: 4-(2-carboxylatophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(2-carboxylatophenyl)thio]-3-nitrobenzoate IUPAC Name: 4-(2-carboxylatophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(2-carboxylatophenyl)thio]-3-nitro-benzoate Formula: C14H7NO6S-2 MolecularWeight: 317.27348

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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)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H9NO6S/c16-13(17)8-5-6-12(10(7-8)15(20)21)22-11-4-2-1-3-9(11)14(18)19/h1-7H,(H,16,17)(H,18,19)/p-2