sulfanyl 4-methyl-3-nitro-2-(phenylmethyl)benzoate

Systemtic Name: sulfanyl 4-methyl-3-nitro-2-(phenylmethyl)benzoate Openeye Name: sulfanyl 2-benzyl-4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitro-2-(phenylmethyl)benzoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-4-methyl-3-nitrobenzoate Traditional Name: 2-benzyl-4-methyl-3-nitro-benzoic acid mercapto ester Formula: C15H13NO4S MolecularWeight: 303.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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