2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]benzoic acid IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]benzoic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=CC=CC=C2C(=O)O

InChI

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