(1-nitronaphthalen-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-nitronaphthalen-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-nitro-2-naphthyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-nitro-2-naphthalenyl) ester IUPAC Name: (1-nitronaphthalen-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-nitro-2-naphthyl) ester Formula: C17H13NO5S MolecularWeight: 343.35382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO5S/c1-12-6-9-14(10-7-12)24(21,22)23-16-11-8-13-4-2-3-5-15(13)17(16)18(19)20/h2-11H,1H3