(4-chloranylnaphthalen-1-yl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4-chloranylnaphthalen-1-yl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-chloro-1-naphthyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-chloro-1-naphthyl) ester Formula: C18H12ClNO4S MolecularWeight: 373.81018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C3=CC=CC=C32)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C3=CC=CC=C32)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClNO4S/c1-25-17-9-6-11(10-15(17)20(22)23)18(21)24-16-8-7-14(19)12-4-2-3-5-13(12)16/h2-10H,1H3