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

Systemtic Name: heptyl 5-[4-(6-heptoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2-methoxy-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: heptyl 5-[4-(5-heptoxy-1,1-dimethyl-5-oxo-pentyl)-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[4-(6-heptoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxy-2-methoxyphenyl]-5-methylhexanoic acid heptyl ester IUPAC Name: heptyl 5-[4-(6-heptoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxy-2-methoxyphenyl]-5-methylhexanoate Traditional Name: 5-[4-(5-heptoxy-5-keto-1,1-dimethyl-pentyl)-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanoic acid heptyl ester Formula: C35H60O6 MolecularWeight: 576.8473

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCCCCCC)O

Isomeric SMILES

CCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCCCCCC)O

InChI

InChI=1S/C35H60O6/c1-8-10-12-14-16-24-40-32(37)20-18-22-34(3,4)28-27-31(39-7)29(26-30(28)36)35(5,6)23-19-21-33(38)41-25-17-15-13-11-9-2/h26-27,36H,8-25H2,1-7H3