[4-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] ethanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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