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

Systemtic Name: [4-[3-[4-(2,4-dimethyl-4-oxidanyl-hexyl)-3-methyl-phenyl]pentan-3-yl]phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(4-hydroxy-2,4-dimethyl-hexyl)-3-methyl-phenyl]propyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(4-hydroxy-2,4-dimethylhexyl)-3-methylphenyl]pentan-3-yl]phenyl] ester IUPAC Name: [4-[3-[4-(4-hydroxy-2,4-dimethylhexyl)-3-methylphenyl]pentan-3-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(4-hydroxy-2,4-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)(CC(C)CC1=C(C=C(C=C1)C(CC)(CC)C2=CC=C(C=C2)OS(=O)(=O)C)C)O

Isomeric SMILES

CCC(C)(CC(C)CC1=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)19-20(4)17-22-11-12-24(18-21(22)5)27(9-2,10-3)23-13-15-25(16-14-23)31-32(7,29)30/h11-16,18,20,28H,8-10,17,19H2,1-7H3