[4-(2-methanoyl-3-methyl-butyl)-2-(3-methoxypropoxy)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-methanoyl-3-methyl-butyl)-2-(3-methoxypropoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-formyl-3-methyl-butyl)-2-(3-methoxypropoxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-formyl-3-methylbutyl)-2-(3-methoxypropoxy)phenyl] ester IUPAC Name: [4-(2-formyl-3-methylbutyl)-2-(3-methoxypropoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-formyl-3-methyl-butyl)-2-(3-methoxypropoxy)phenyl] ester Formula: C23H30O6S MolecularWeight: 434.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CC(C=O)C(C)C)OCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CC(C=O)C(C)C)OCCCOC

InChI

InChI=1S/C23H30O6S/c1-17(2)20(16-24)14-19-8-11-22(23(15-19)28-13-5-12-27-4)29-30(25,26)21-9-6-18(3)7-10-21/h6-11,15-17,20H,5,12-14H2,1-4H3