[4-(1,3-dithiolan-2-yl)phenyl] 3,4-dimethoxybenzenesulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4-dimethoxybenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H18O5S3 MolecularWeight: 398.51682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C17H18O5S3/c1-20-15-8-7-14(11-16(15)21-2)25(18,19)22-13-5-3-12(4-6-13)17-23-9-10-24-17/h3-8,11,17H,9-10H2,1-2H3