[1-(2-nitrophenyl)sulfanylnaphthalen-2-yl] 4-chloranylbutanoate

Systemtic Name: [1-(2-nitrophenyl)sulfanylnaphthalen-2-yl] 4-chloranylbutanoate Openeye Name: [1-(2-nitrophenyl)sulfanyl-2-naphthyl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [1-[(2-nitrophenyl)thio]-2-naphthalenyl] ester IUPAC Name: [1-(2-nitrophenyl)sulfanylnaphthalen-2-yl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [1-[(2-nitrophenyl)thio]-2-naphthyl] ester Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2SC3=CC=CC=C3[N+](=O)[O-])OC(=O)CCCCl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2SC3=CC=CC=C3[N+](=O)[O-])OC(=O)CCCCl

InChI

InChI=1S/C20H16ClNO4S/c21-13-5-10-19(23)26-17-12-11-14-6-1-2-7-15(14)20(17)27-18-9-4-3-8-16(18)22(24)25/h1-4,6-9,11-12H,5,10,13H2