hexyl 5-[2-methoxy-5-oxidanyl-4-(2-phenylpropan-2-yl)phenyl]-5-methyl-hexanoate

Systemtic Name: hexyl 5-[2-methoxy-5-oxidanyl-4-(2-phenylpropan-2-yl)phenyl]-5-methyl-hexanoate Openeye Name: hexyl 5-[5-hydroxy-2-methoxy-4-(1-methyl-1-phenyl-ethyl)phenyl]-5-methyl-hexanoate CAS Name: 5-[5-hydroxy-2-methoxy-4-(2-phenylpropan-2-yl)phenyl]-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-[5-hydroxy-2-methoxy-4-(2-phenylpropan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-(4-cumyl-5-hydroxy-2-methoxy-phenyl)-5-methyl-hexanoic acid hexyl ester Formula: C29H42O4 MolecularWeight: 454.64138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C(C(=C1)O)C(C)(C)C2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C(C(=C1)O)C(C)(C)C2=CC=CC=C2)OC

InChI

InChI=1S/C29H42O4/c1-7-8-9-13-19-33-27(31)17-14-18-28(2,3)24-20-25(30)23(21-26(24)32-6)29(4,5)22-15-11-10-12-16-22/h10-12,15-16,20-21,30H,7-9,13-14,17-19H2,1-6H3