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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-ethanoylbenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H18O5S3 MolecularWeight: 410.52752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S3/c1-12(19)13-3-6-15(7-4-13)26(20,21)23-16-8-5-14(11-17(16)22-2)18-24-9-10-25-18/h3-8,11,18H,9-10H2,1-2H3