[4-(3-oxidanylidenebutyl)phenyl] 2,5-bis(chloranyl)-3,6-dimethyl-benzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,5-bis(chloranyl)-3,6-dimethyl-benzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2,5-dichloro-3,6-dimethyl-benzenesulfonate CAS Name: 2,5-dichloro-3,6-dimethylbenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,5-dichloro-3,6-dimethylbenzenesulfonate Traditional Name: 2,5-dichloro-3,6-dimethyl-benzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H18Cl2O4S MolecularWeight: 401.30412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C)C)Cl

InChI

InChI=1S/C18H18Cl2O4S/c1-11-10-16(19)13(3)18(17(11)20)25(22,23)24-15-8-6-14(7-9-15)5-4-12(2)21/h6-10H,4-5H2,1-3H3