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

Systemtic Name: hexyl 5-[4-(4-hexoxy-2-methyl-4-oxidanylidene-butan-2-yl)-2,5-bis(oxidanyl)phenyl]-5-methyl-hexanoate Openeye Name: hexyl 5-[4-(3-hexoxy-1,1-dimethyl-3-oxo-propyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[4-(4-hexoxy-2-methyl-4-oxobutan-2-yl)-2,5-dihydroxyphenyl]-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-[4-(4-hexoxy-2-methyl-4-oxobutan-2-yl)-2,5-dihydroxyphenyl]-5-methylhexanoate Traditional Name: 5-[4-(3-hexoxy-3-keto-1,1-dimethyl-propyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanoic acid hexyl ester Formula: C30H50O6 MolecularWeight: 506.7144

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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)CC(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C(C(=C1)O)C(C)(C)CC(=O)OCCCCCC)O

InChI

InChI=1S/C30H50O6/c1-7-9-11-13-18-35-27(33)16-15-17-29(3,4)23-20-26(32)24(21-25(23)31)30(5,6)22-28(34)36-19-14-12-10-8-2/h20-21,31-32H,7-19,22H2,1-6H3