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

Systemtic Name: [4-[3-[4-(2,3-dimethyl-3-oxidanyl-pentoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(3-hydroxy-2,3-dimethyl-pentoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(3-hydroxy-2,3-dimethylpentoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(3-hydroxy-2,3-dimethylpentoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(3-hydroxy-2,3-dimethyl-pentoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl] ester Formula: C27H40O5S MolecularWeight: 476.6685

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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)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)C)O

InChI

InChI=1S/C27H40O5S/c1-9-26(7,28)21(6)18-31-24-14-12-22(16-19(24)4)27(10-2,11-3)23-13-15-25(20(5)17-23)32-33(8,29)30/h12-17,21,28H,9-11,18H2,1-8H3