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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C19H22O3S3 MolecularWeight: 394.57118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O3S3/c1-19(2,3)15-6-10-17(11-7-15)25(20,21)22-16-8-4-14(5-9-16)18-23-12-13-24-18/h4-11,18H,12-13H2,1-3H3