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

Systemtic Name: [4-(2-nitrophenyl)sulfanylnaphthalen-1-yl] 4-chloranylbutanoate Openeye Name: [4-(2-nitrophenyl)sulfanyl-1-naphthyl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [4-[(2-nitrophenyl)thio]-1-naphthalenyl] ester IUPAC Name: [4-(2-nitrophenyl)sulfanylnaphthalen-1-yl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [4-[(2-nitrophenyl)thio]-1-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/c21-13-5-10-20(23)26-17-11-12-18(15-7-2-1-6-14(15)17)27-19-9-4-3-8-16(19)22(24)25/h1-4,6-9,11-12H,5,10,13H2