[4-[3-[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] ethanesulfonate

Systemtic Name: [4-[3-[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] ethanesulfonate Openeye Name: [4-[1-[4-(4,4-dimethyl-3-oxo-pentyl)-3-methyl-phenyl]-1-ethyl-propyl]-2-methyl-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[3-[4-(4,4-dimethyl-3-oxopentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(4,4-dimethyl-3-oxopentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[1-ethyl-1-[4-(3-keto-4,4-dimethyl-pentyl)-3-methyl-phenyl]propyl]-2-methyl-phenyl] ester Formula: C28H40O4S MolecularWeight: 472.6798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)CCC(=O)C(C)(C)C)C)C2=CC(=C(C=C2)OS(=O)(=O)CC)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)CCC(=O)C(C)(C)C)C)C2=CC(=C(C=C2)OS(=O)(=O)CC)C

InChI

InChI=1S/C28H40O4S/c1-9-28(10-2,24-15-16-25(21(5)19-24)32-33(30,31)11-3)23-14-12-22(20(4)18-23)13-17-26(29)27(6,7)8/h12,14-16,18-19H,9-11,13,17H2,1-8H3