19-methyl-3-(16-methylheptadecanoyl)-2-methylidene-4-oxidanylidene-icosanal

Systemtic Name: 19-methyl-3-(16-methylheptadecanoyl)-2-methylidene-4-oxidanylidene-icosanal Openeye Name: 19-methyl-2-methylene-3-(16-methylheptadecanoyl)-4-oxo-icosanal CAS Name: 19-methyl-2-methylene-3-(16-methyl-1-oxoheptadecyl)-4-oxoeicosanal IUPAC Name: 19-methyl-3-(16-methylheptadecanoyl)-2-methylidene-4-oxoicosanal Traditional Name: 2-[2-keto-17-methyl-1-(16-methylheptadecanoyl)octadecyl]acrolein Formula: C40H74O3 MolecularWeight: 603.01376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)C(C(=C)C=O)C(=O)CCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)C(C(=C)C=O)C(=O)CCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C40H74O3/c1-35(2)30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(42)40(37(5)34-41)39(43)33-29-25-21-17-13-9-7-11-15-19-23-27-31-36(3)4/h34-36,40H,5-33H2,1-4H3