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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)SC3=CC=CC=C3[N+](=O)[O-]

InChI

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