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

Systemtic Name: 5-methyl-2-[(3-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-methyl-2-[(3-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 5-methyl-2-[(3-nitrophenyl)methylthio]benzoic acid IUPAC Name: 5-methyl-2-[(3-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-methyl-2-[(3-nitrobenzyl)thio]benzoic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

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