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

Systemtic Name: [9-octanoyl-8,10-bis(oxidanylidene)heptadecan-9-yl]-[(E)-tetradec-1-enyl]azanium Openeye Name: [1,1-di(octanoyl)-2-oxo-nonyl]-[(E)-tetradec-1-enyl]ammonium CAS Name: [8,10-dioxo-9-(1-oxooctyl)heptadecan-9-yl]-[(E)-tetradec-1-enyl]ammonium IUPAC Name: (9-octanoyl-8,10-dioxoheptadecan-9-yl)-[(E)-tetradec-1-enyl]azanium Traditional Name: (1,1-dicaprylyl-2-keto-nonyl)-[(E)-tetradec-1-enyl]ammonium Formula: C39H74NO3+ MolecularWeight: 605.00976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC/C=C/[NH2+]C(C(=O)CCCCCCC)(C(=O)CCCCCCC)C(=O)CCCCCCC

InChI

InChI=1S/C39H73NO3/c1-5-9-13-17-18-19-20-21-22-23-27-31-35-40-39(36(41)32-28-24-14-10-6-2,37(42)33-29-25-15-11-7-3)38(43)34-30-26-16-12-8-4/h31,35,40H,5-30,32-34H2,1-4H3/p+1/b35-31+