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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C)COC1=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)COC1=C(C=C(C=C1)C(CC)(CC)C2=CC=C(C=C2)OS(=O)(=O)C)C)O

InChI

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