3-[(2-methylphenyl)methylsulfinyl]-5-nitro-benzoic acid

Systemtic Name: 3-[(2-methylphenyl)methylsulfinyl]-5-nitro-benzoic acid Openeye Name: 3-nitro-5-(o-tolylmethylsulfinyl)benzoic acid CAS Name: 3-[(2-methylphenyl)methylsulfinyl]-5-nitrobenzoic acid IUPAC Name: 3-[(2-methylphenyl)methylsulfinyl]-5-nitrobenzoic acid Traditional Name: 3-(2-methylbenzyl)sulfinyl-5-nitro-benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CS(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

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