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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H17NO4S3 MolecularWeight: 395.51618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S3/c1-12(19)18-14-4-8-16(9-5-14)25(20,21)22-15-6-2-13(3-7-15)17-23-10-11-24-17/h2-9,17H,10-11H2,1H3,(H,18,19)