2-(3,4-dimethoxyphenyl)ethyl 4-nitrobenzenesulfonate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl 4-nitrobenzenesulfonate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid homoveratryl ester Formula: C16H17NO7S MolecularWeight: 367.37368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H17NO7S/c1-22-15-8-3-12(11-16(15)23-2)9-10-24-25(20,21)14-6-4-13(5-7-14)17(18)19/h3-8,11H,9-10H2,1-2H3