4-[(4-methylphenyl)sulfinylmethyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-methylphenyl)sulfinylmethyl]-3-nitro-benzoic acid Openeye Name: 3-nitro-4-(p-tolylsulfinylmethyl)benzoic acid CAS Name: 4-[(4-methylphenyl)sulfinylmethyl]-3-nitrobenzoic acid IUPAC Name: 4-[(4-methylphenyl)sulfinylmethyl]-3-nitrobenzoic acid Traditional Name: 3-nitro-4-(p-tolylsulfinylmethyl)benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c1-10-2-6-13(7-3-10)22(21)9-12-5-4-11(15(17)18)8-14(12)16(19)20/h2-8H,9H2,1H3,(H,17,18)