hexyl 5-methyl-5-[4-(2-methyl-4-octoxy-4-oxidanylidene-butan-2-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexanoate

Systemtic Name: hexyl 5-methyl-5-[4-(2-methyl-4-octoxy-4-oxidanylidene-butan-2-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexanoate Openeye Name: hexyl 5-[4-(1,1-dimethyl-3-octoxy-3-oxo-propyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-5-methyl-hexanoate CAS Name: 5-methyl-5-[4-(2-methyl-4-octoxy-4-oxobutan-2-yl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]hexanoic acid hexyl ester IUPAC Name: hexyl 5-methyl-5-[4-(2-methyl-4-octoxy-4-oxobutan-2-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]hexanoate Traditional Name: 5-[3,6-diketo-4-(3-keto-1,1-dimethyl-3-octoxy-propyl)cyclohexa-1,4-dien-1-yl]-5-methyl-hexanoic acid hexyl ester Formula: C32H52O6 MolecularWeight: 532.75168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CCCC(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CCCC(=O)OCCCCCC

InChI

InChI=1S/C32H52O6/c1-7-9-11-13-14-16-21-38-30(36)24-32(5,6)26-23-27(33)25(22-28(26)34)31(3,4)19-17-18-29(35)37-20-15-12-10-8-2/h22-23H,7-21,24H2,1-6H3