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

Systemtic Name: [4-[3-[4-(2,4-dimethyl-4-oxidanyl-hexyl)phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(4-hydroxy-2,4-dimethyl-hexyl)phenyl]propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(4-hydroxy-2,4-dimethylhexyl)phenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(4-hydroxy-2,4-dimethylhexyl)phenyl]pentan-3-yl]-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(4-hydroxy-2,4-dimethyl-hexyl)phenyl]propyl]-2-methyl-phenyl] ester Formula: C27H40O4S MolecularWeight: 460.6691

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)CC1=CC=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)OS(=O)(=O)C)C)O

Isomeric SMILES

CCC(C)(CC(C)CC1=CC=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)OS(=O)(=O)C)C)O

InChI

InChI=1S/C27H40O4S/c1-8-26(6,28)19-20(4)17-22-11-13-23(14-12-22)27(9-2,10-3)24-15-16-25(21(5)18-24)31-32(7,29)30/h11-16,18,20,28H,8-10,17,19H2,1-7H3