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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H19NO5S3 MolecularWeight: 425.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C18H19NO5S3/c1-12(20)19-14-4-6-15(7-5-14)27(21,22)24-16-8-3-13(11-17(16)23-2)18-25-9-10-26-18/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)