hexyl 4-[4-(5-hexoxy-2-methyl-5-oxidanylidene-pentan-2-yl)-2,5-bis(oxidanyl)phenyl]-4-methyl-pentanoate

Systemtic Name: hexyl 4-[4-(5-hexoxy-2-methyl-5-oxidanylidene-pentan-2-yl)-2,5-bis(oxidanyl)phenyl]-4-methyl-pentanoate Openeye Name: hexyl 4-[4-(4-hexoxy-1,1-dimethyl-4-oxo-butyl)-2,5-dihydroxy-phenyl]-4-methyl-pentanoate CAS Name: 4-[4-(5-hexoxy-2-methyl-5-oxopentan-2-yl)-2,5-dihydroxyphenyl]-4-methylpentanoic acid hexyl ester IUPAC Name: hexyl 4-[4-(5-hexoxy-2-methyl-5-oxopentan-2-yl)-2,5-dihydroxyphenyl]-4-methylpentanoate Traditional Name: 4-[4-(4-hexoxy-4-keto-1,1-dimethyl-butyl)-2,5-dihydroxy-phenyl]-4-methyl-valeric acid hexyl ester Formula: C30H50O6 MolecularWeight: 506.7144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCC(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCOC(=O)CCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCC(=O)OCCCCCC)O

InChI

InChI=1S/C30H50O6/c1-7-9-11-13-19-35-27(33)15-17-29(3,4)23-21-26(32)24(22-25(23)31)30(5,6)18-16-28(34)36-20-14-12-10-8-2/h21-22,31-32H,7-20H2,1-6H3