[5-(3-chloranyl-3-oxidanylidene-propyl)-2,3-dimethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(3-chloranyl-3-oxidanylidene-propyl)-2,3-dimethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-(3-chloro-3-oxo-propyl)-2,3-dimethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(3-chloro-3-oxopropyl)-2,3-dimethoxyphenyl] ester IUPAC Name: [5-(3-chloro-3-oxopropyl)-2,3-dimethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(3-chloro-3-keto-propyl)-2,3-dimethoxy-phenyl] ester Formula: C18H19ClO6S MolecularWeight: 398.85786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)OC)CCC(=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)OC)CCC(=O)Cl

InChI

InChI=1S/C18H19ClO6S/c1-12-4-7-14(8-5-12)26(21,22)25-16-11-13(6-9-17(19)20)10-15(23-2)18(16)24-3/h4-5,7-8,10-11H,6,9H2,1-3H3