naphthalen-1-ylmethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: naphthalen-1-ylmethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 1-naphthylmethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 1-naphthylmethyl ester Formula: C19H15NO6S MolecularWeight: 385.3905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO6S/c1-27(24,25)18-10-9-14(11-17(18)20(22)23)19(21)26-12-15-7-4-6-13-5-2-3-8-16(13)15/h2-11H,12H2,1H3