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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C)CCC1=C(C=C(C=C1)C(CC)(CC)C2=CC=C(C=C2)OS(=O)(=O)C)C)O

Isomeric SMILES

CCC(C)(C(C)CCC1=C(C=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)21(5)11-12-22-13-14-24(19-20(22)4)27(9-2,10-3)23-15-17-25(18-16-23)31-32(7,29)30/h13-19,21,28H,8-12H2,1-7H3