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

Systemtic Name: [4-[3-[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-[4-(4,4-dimethyl-3-oxo-pentyl)-3-methyl-phenyl]-1-ethyl-propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(3-keto-4,4-dimethyl-pentyl)-3-methyl-phenyl]propyl]-2-methyl-phenyl] ester Formula: C27H38O4S MolecularWeight: 458.65322

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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)C)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)C)C

InChI

InChI=1S/C27H38O4S/c1-9-27(10-2,23-14-15-24(20(4)18-23)31-32(8,29)30)22-13-11-21(19(3)17-22)12-16-25(28)26(5,6)7/h11,13-15,17-18H,9-10,12,16H2,1-8H3