[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] ester Formula: C17H17BrO4S3 MolecularWeight: 461.41348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C3SCCS3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C3SCCS3)OC

InChI

InChI=1S/C17H17BrO4S3/c1-11-3-5-13(6-4-11)25(19,20)22-16-14(18)9-12(10-15(16)21-2)17-23-7-8-24-17/h3-6,9-10,17H,7-8H2,1-2H3