4-(3-methyl-4-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 4-(3-methyl-4-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(3-methyl-4-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(3-methyl-4-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(3-methyl-4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(3-methyl-4-nitro-phenyl)thio]benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4S/c1-9-8-12(6-7-13(9)15(18)19)20-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3,(H,16,17)