[4-(1,3-dithian-2-yl)phenyl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [4-(1,3-dithian-2-yl)phenyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [4-(1,3-dithian-2-yl)phenyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [4-(1,3-dithian-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithian-2-yl)phenyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [4-(1,3-dithian-2-yl)phenyl] ester Formula: C19H22O3S3 MolecularWeight: 394.57118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C3SCCCS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C3SCCCS3)C

InChI

InChI=1S/C19H22O3S3/c1-13-11-14(2)18(15(3)12-13)25(20,21)22-17-7-5-16(6-8-17)19-23-9-4-10-24-19/h5-8,11-12,19H,4,9-10H2,1-3H3