(4-chloranylnaphthalen-1-yl) 2-methoxy-4-nitro-benzenesulfonate

Systemtic Name: (4-chloranylnaphthalen-1-yl) 2-methoxy-4-nitro-benzenesulfonate Openeye Name: (4-chloro-1-naphthyl) 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid (4-chloro-1-naphthyl) ester Formula: C17H12ClNO6S MolecularWeight: 393.79828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)Cl

InChI

InChI=1S/C17H12ClNO6S/c1-24-16-10-11(19(20)21)6-9-17(16)26(22,23)25-15-8-7-14(18)12-4-2-3-5-13(12)15/h2-10H,1H3