[4-(2-nitrophenyl)sulfanylnaphthalen-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [4-(2-nitrophenyl)sulfanylnaphthalen-1-yl] 2,2-dimethylpropanoate Openeye Name: [4-(2-nitrophenyl)sulfanyl-1-naphthyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(2-nitrophenyl)thio]-1-naphthalenyl] ester IUPAC Name: [4-(2-nitrophenyl)sulfanylnaphthalen-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(2-nitrophenyl)thio]-1-naphthyl] ester Formula: C21H19NO4S MolecularWeight: 381.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC=C(C2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC=C(C2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H19NO4S/c1-21(2,3)20(23)26-17-12-13-18(15-9-5-4-8-14(15)17)27-19-11-7-6-10-16(19)22(24)25/h4-13H,1-3H3