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11-[(Z)-2-methyl-9-oxidanylidene-non-2-enoyl]oxyundecyl benzoate

11-[(Z)-2-methyl-9-oxidanylidene-non-2-enoyl]oxyundecyl benzoate

Systemtic Name:11-[(Z)-2-methyl-9-oxidanylidene-non-2-enoyl]oxyundecyl benzoate
Openeye Name:11-[(Z)-2-methyl-9-oxo-non-2-enoyl]oxyundecyl benzoate
CAS Name:benzoic acid 11-[(Z)-2-methyl-1,9-dioxonon-2-enoxy]undecyl ester
IUPAC Name:11-[(Z)-2-methyl-9-oxonon-2-enoyl]oxyundecyl benzoate
Traditional Name:benzoic acid 11-[(Z)-9-keto-2-methyl-non-2-enoyl]oxyundecyl ester
Formula: C28H42O5
MolecularWeight: 458.63008
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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCCCC=O)C(=O)OCCCCCCCCCCCOC(=O)C1=CC=CC=C1


Isomeric SMILES

C/C(=C/CCCCCC=O)/C(=O)OCCCCCCCCCCCOC(=O)C1=CC=CC=C1


InChI

InChI=1S/C28H42O5/c1-25(19-13-8-7-9-16-22-29)27(30)32-23-17-10-5-3-2-4-6-11-18-24-33-28(31)26-20-14-12-15-21-26/h12,14-15,19-22H,2-11,13,16-18,23-24H2,1H3/b25-19-


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