2-hexadecyl-2-(14-methylpentadecyl)-3-oxidanylidene-icosanoate

Systemtic Name: 2-hexadecyl-2-(14-methylpentadecyl)-3-oxidanylidene-icosanoate Openeye Name: 2-hexadecyl-2-(14-methylpentadecyl)-3-oxo-icosanoate CAS Name: 2-hexadecyl-2-(14-methylpentadecyl)-3-oxoeicosanoate IUPAC Name: 2-hexadecyl-2-(14-methylpentadecyl)-3-oxoicosanoate Traditional Name: 2-cetyl-3-keto-2-(14-methylpentadecyl)arachidate Formula: C52H101O3- MolecularWeight: 774.35654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCC(C)C)C(=O)[O-]

InChI

InChI=1S/C52H102O3/c1-5-7-9-11-13-15-17-19-21-22-26-30-34-38-42-46-50(53)52(51(54)55,47-43-39-35-31-27-23-20-18-16-14-12-10-8-6-2)48-44-40-36-32-28-24-25-29-33-37-41-45-49(3)4/h49H,5-48H2,1-4H3,(H,54,55)/p-1