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

Systemtic Name: 4-(4-methyl-2-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(4-methyl-2-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(4-methyl-2-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(4-methyl-2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(4-methyl-2-nitro-phenyl)thio]benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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