[4-(2-chloranyl-1,1-dimethoxy-ethyl)-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-chloranyl-1,1-dimethoxy-ethyl)-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-chloro-1,1-dimethoxy-ethyl)-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-chloro-1,1-dimethoxyethyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-chloro-1,1-dimethoxyethyl)-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-chloro-1,1-dimethoxy-ethyl)-2-methoxy-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=C2)C(CCl)(OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(CCl)(OC)OC)OC

InChI

InChI=1S/C18H21ClO6S/c1-13-5-8-15(9-6-13)26(20,21)25-16-10-7-14(11-17(16)22-2)18(12-19,23-3)24-4/h5-11H,12H2,1-4H3