heptyl 5-[2-ethoxy-4-(6-heptoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate

Systemtic Name: heptyl 5-[2-ethoxy-4-(6-heptoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: heptyl 5-[2-ethoxy-4-(5-heptoxy-1,1-dimethyl-5-oxo-pentyl)-5-hydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2-ethoxy-4-(6-heptoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxyphenyl]-5-methylhexanoic acid heptyl ester IUPAC Name: heptyl 5-[2-ethoxy-4-(6-heptoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxyphenyl]-5-methylhexanoate Traditional Name: 5-[2-ethoxy-4-(5-heptoxy-5-keto-1,1-dimethyl-pentyl)-5-hydroxy-phenyl]-5-methyl-hexanoic acid heptyl ester Formula: C36H62O6 MolecularWeight: 590.87388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OCC)C(C)(C)CCCC(=O)OCCCCCCC)O

Isomeric SMILES

CCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OCC)C(C)(C)CCCC(=O)OCCCCCCC)O

InChI

InChI=1S/C36H62O6/c1-8-11-13-15-17-25-41-33(38)21-19-23-35(4,5)29-28-32(40-10-3)30(27-31(29)37)36(6,7)24-20-22-34(39)42-26-18-16-14-12-9-2/h27-28,37H,8-26H2,1-7H3