5-methyl-2-[(3-nitrophenyl)methylsulfonyl]benzoic acid

Systemtic Name: 5-methyl-2-[(3-nitrophenyl)methylsulfonyl]benzoic acid Openeye Name: 5-methyl-2-[(3-nitrophenyl)methylsulfonyl]benzoic acid CAS Name: 5-methyl-2-[(3-nitrophenyl)methylsulfonyl]benzoic acid IUPAC Name: 5-methyl-2-[(3-nitrophenyl)methylsulfonyl]benzoic acid Traditional Name: 5-methyl-2-(3-nitrobenzyl)sulfonyl-benzoic acid Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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