[9-octanoyl-8,10-bis(oxidanylidene)heptadecan-9-yl]-[(E)-oct-1-enyl]azanium

Systemtic Name: [9-octanoyl-8,10-bis(oxidanylidene)heptadecan-9-yl]-[(E)-oct-1-enyl]azanium Openeye Name: [1,1-di(octanoyl)-2-oxo-nonyl]-[(E)-oct-1-enyl]ammonium CAS Name: [8,10-dioxo-9-(1-oxooctyl)heptadecan-9-yl]-[(E)-oct-1-enyl]ammonium IUPAC Name: (9-octanoyl-8,10-dioxoheptadecan-9-yl)-[(E)-oct-1-enyl]azanium Traditional Name: (1,1-dicaprylyl-2-keto-nonyl)-[(E)-oct-1-enyl]ammonium Formula: C33H62NO3+ MolecularWeight: 520.85028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(C(=O)CCCCCCC)(C(=O)CCCCCCC)[NH2+]C=CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)C(C(=O)CCCCCCC)(C(=O)CCCCCCC)[NH2+]/C=C/CCCCCC

InChI

InChI=1S/C33H61NO3/c1-5-9-13-17-21-25-29-34-33(30(35)26-22-18-14-10-6-2,31(36)27-23-19-15-11-7-3)32(37)28-24-20-16-12-8-4/h25,29,34H,5-24,26-28H2,1-4H3/p+1/b29-25+