naphthalen-1-yl 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: naphthalen-1-yl 2-methyl-5-nitro-benzenesulfonate Openeye Name: 1-naphthyl 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid 1-naphthalenyl ester IUPAC Name: naphthalen-1-yl 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid 1-naphthyl ester Formula: C17H13NO5S MolecularWeight: 343.35382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC3=CC=CC=C32

InChI

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