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

Systemtic Name: [4-[3-[4-(4,4-dimethyl-3-oxidanyl-pentan-2-yl)oxyphenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(2-hydroxy-1,3,3-trimethyl-butoxy)phenyl]propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(3-hydroxy-4,4-dimethylpentan-2-yl)oxyphenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(3-hydroxy-4,4-dimethylpentan-2-yl)oxyphenyl]pentan-3-yl]-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(2-hydroxy-1,3,3-trimethyl-butoxy)phenyl]propyl]-2-methyl-phenyl] ester Formula: C26H38O5S MolecularWeight: 462.64192

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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)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)C2=CC(=C(C=C2)OS(=O)(=O)C)C

InChI

InChI=1S/C26H38O5S/c1-9-26(10-2,21-13-16-23(18(3)17-21)31-32(8,28)29)20-11-14-22(15-12-20)30-19(4)24(27)25(5,6)7/h11-17,19,24,27H,9-10H2,1-8H3