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

Systemtic Name: 4-(2-methyl-4-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(2-methyl-4-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(2-methyl-4-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(2-methyl-4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(2-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)[N+](=O)[O-])SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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