4-(4-chlorophenyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(4-chlorophenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(4-chlorophenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(4-chlorophenyl)thio]-3-nitro-benzoic acid Formula: C13H8ClNO4S MolecularWeight: 309.72492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H8ClNO4S/c14-9-2-4-10(5-3-9)20-12-6-1-8(13(16)17)7-11(12)15(18)19/h1-7H,(H,16,17)