dodecyl 5-[4-tert-butyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-5-methyl-hexanoate

Systemtic Name: dodecyl 5-[4-tert-butyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-5-methyl-hexanoate Openeye Name: dodecyl 5-(4-tert-butyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5-methyl-hexanoate CAS Name: 5-(4-tert-butyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-5-methylhexanoic acid dodecyl ester IUPAC Name: dodecyl 5-(4-tert-butyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-5-methylhexanoate Traditional Name: 5-(4-tert-butyl-3,6-diketo-cyclohexa-1,4-dien-1-yl)-5-methyl-hexanoic acid lauryl ester Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C

InChI

InChI=1S/C29H48O4/c1-7-8-9-10-11-12-13-14-15-16-20-33-27(32)18-17-19-29(5,6)24-22-25(30)23(21-26(24)31)28(2,3)4/h21-22H,7-20H2,1-6H3