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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3,4-dimethylbenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H20O4S3 MolecularWeight: 396.544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)C

InChI

InChI=1S/C18H20O4S3/c1-12-4-6-15(10-13(12)2)25(19,20)22-16-7-5-14(11-17(16)21-3)18-23-8-9-24-18/h4-7,10-11,18H,8-9H2,1-3H3