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

Systemtic Name: 2-[(3-methylphenyl)methylsulfonyl]-5-nitro-benzoic acid Openeye Name: 2-(m-tolylmethylsulfonyl)-5-nitro-benzoic acid CAS Name: 2-[(3-methylphenyl)methylsulfonyl]-5-nitrobenzoic acid IUPAC Name: 2-[(3-methylphenyl)methylsulfonyl]-5-nitrobenzoic acid Traditional Name: 2-(3-methylbenzyl)sulfonyl-5-nitro-benzoic acid Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO6S/c1-10-3-2-4-11(7-10)9-23(21,22)14-6-5-12(16(19)20)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)