methyl 5-[3-(8-butoxy-2,6-dimethyl-octan-2-yl)-4-oxidanyl-phenyl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[3-(8-butoxy-2,6-dimethyl-octan-2-yl)-4-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-[3-(7-butoxy-1,1,5-trimethyl-heptyl)-4-hydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[3-(8-butoxy-2,6-dimethyloctan-2-yl)-4-hydroxyphenyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-[3-(8-butoxy-2,6-dimethyloctan-2-yl)-4-hydroxyphenyl]-5-methylhexanoate Traditional Name: 5-[3-(7-butoxy-1,1,5-trimethyl-heptyl)-4-hydroxy-phenyl]-5-methyl-hexanoic acid methyl ester Formula: C28H48O4 MolecularWeight: 448.67832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC(C)CCCC(C)(C)C1=C(C=CC(=C1)C(C)(C)CCCC(=O)OC)O

Isomeric SMILES

CCCCOCCC(C)CCCC(C)(C)C1=C(C=CC(=C1)C(C)(C)CCCC(=O)OC)O

InChI

InChI=1S/C28H48O4/c1-8-9-19-32-20-16-22(2)12-10-18-28(5,6)24-21-23(14-15-25(24)29)27(3,4)17-11-13-26(30)31-7/h14-15,21-22,29H,8-13,16-20H2,1-7H3