[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-chloranyl-2,5-dimethyl-benzenesulfonate

Systemtic Name: [2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-chloranyl-2,5-dimethyl-benzenesulfonate Openeye Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-chloro-2,5-dimethyl-benzenesulfonate CAS Name: 4-chloro-2,5-dimethylbenzenesulfonic 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-chloro-2,5-dimethylbenzenesulfonate Traditional Name: 4-chloro-2,5-dimethyl-benzenesulfonic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] ester Formula: C18H18BrClO4S3 MolecularWeight: 509.88512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)OC2=C(C=C(C=C2Br)C3SCCS3)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)OC2=C(C=C(C=C2Br)C3SCCS3)OC

InChI

InChI=1S/C18H18BrClO4S3/c1-10-7-16(11(2)6-14(10)20)27(21,22)24-17-13(19)8-12(9-15(17)23-3)18-25-4-5-26-18/h6-9,18H,4-5H2,1-3H3