2-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]carbonylbenzoate Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-[(3,4-dimethylphenyl)thio]-3-nitrophenyl]-oxomethyl]benzoate IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfanyl-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-[(3,4-dimethylphenyl)thio]-3-nitro-benzoyl]benzoate Formula: C22H16NO5S- MolecularWeight: 406.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C22H17NO5S/c1-13-7-9-16(11-14(13)2)29-20-10-8-15(12-19(20)23(27)28)21(24)17-5-3-4-6-18(17)22(25)26/h3-12H,1-2H3,(H,25,26)/p-1