[4-(1,3-dithiolan-2-yl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H17NO5S3 MolecularWeight: 411.51558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5S3/c1-11-9-14(18(19)20)10-16(12(11)2)26(21,22)23-15-5-3-13(4-6-15)17-24-7-8-25-17/h3-6,9-10,17H,7-8H2,1-2H3