2-(4-methylphenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate Openeye Name: 5-nitro-2-(p-tolylsulfanyl)benzoate CAS Name: 2-[(4-methylphenyl)thio]-5-nitrobenzoate IUPAC Name: 2-(4-methylphenyl)sulfanyl-5-nitrobenzoate Traditional Name: 5-nitro-2-(p-tolylthio)benzoate Formula: C14H10NO4S- MolecularWeight: 288.2985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(15(18)19)8-12(13)14(16)17/h2-8H,1H3,(H,16,17)/p-1