3-methyl-5-[(4-nitrophenyl)methylsulfinyl]benzoic acid

Systemtic Name: 3-methyl-5-[(4-nitrophenyl)methylsulfinyl]benzoic acid Openeye Name: 3-methyl-5-[(4-nitrophenyl)methylsulfinyl]benzoic acid CAS Name: 3-methyl-5-[(4-nitrophenyl)methylsulfinyl]benzoic acid IUPAC Name: 3-methyl-5-[(4-nitrophenyl)methylsulfinyl]benzoic acid Traditional Name: 3-methyl-5-(4-nitrobenzyl)sulfinyl-benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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