[5-(chloromethyl)-2,3,4-trimethoxy-6-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(chloromethyl)-2,3,4-trimethoxy-6-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-(chloromethyl)-2,3,4-trimethoxy-6-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(chloromethyl)-2,3,4-trimethoxy-6-methylphenyl] ester IUPAC Name: [5-(chloromethyl)-2,3,4-trimethoxy-6-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(chloromethyl)-2,3,4-trimethoxy-6-methyl-phenyl] ester Formula: C18H21ClO6S MolecularWeight: 400.87374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2C)CCl)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2C)CCl)OC)OC)OC

InChI

InChI=1S/C18H21ClO6S/c1-11-6-8-13(9-7-11)26(20,21)25-15-12(2)14(10-19)16(22-3)18(24-5)17(15)23-4/h6-9H,10H2,1-5H3