[4-[3-[4-(4,4-dimethyl-3-oxidanyl-pentan-2-yl)oxy-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate

Systemtic Name: [4-[3-[4-(4,4-dimethyl-3-oxidanyl-pentan-2-yl)oxy-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(2-hydroxy-1,3,3-trimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(3-hydroxy-4,4-dimethylpentan-2-yl)oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(3-hydroxy-4,4-dimethylpentan-2-yl)oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(2-hydroxy-1,3,3-trimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl] ester Formula: C27H40O5S MolecularWeight: 476.6685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O5S/c1-10-27(11-2,22-13-15-24(19(4)17-22)32-33(9,29)30)21-12-14-23(18(3)16-21)31-20(5)25(28)26(6,7)8/h12-17,20,25,28H,10-11H2,1-9H3