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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-5-nitro-benzoic acid Openeye Name: 2-(m-tolylmethylsulfanyl)-5-nitro-benzoic acid CAS Name: 2-[(3-methylphenyl)methylthio]-5-nitrobenzoic acid IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-5-nitrobenzoic acid Traditional Name: 2-[(3-methylbenzyl)thio]-5-nitro-benzoic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13NO4S/c1-10-3-2-4-11(7-10)9-21-14-6-5-12(16(19)20)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)