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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)(C(C)COC1=CC=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)18-30-23-14-11-21(12-15-23)26(9-2,10-3)22-13-16-24(19(4)17-22)31-32(7,28)29/h11-17,20,27H,8-10,18H2,1-7H3