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

Systemtic Name: [(E)-octadec-1-enyl]-[9-octanoyl-8,10-bis(oxidanylidene)heptadecan-9-yl]azanium Openeye Name: [1,1-di(octanoyl)-2-oxo-nonyl]-[(E)-octadec-1-enyl]ammonium CAS Name: [8,10-dioxo-9-(1-oxooctyl)heptadecan-9-yl]-[(E)-octadec-1-enyl]ammonium IUPAC Name: [(E)-octadec-1-enyl]-(9-octanoyl-8,10-dioxoheptadecan-9-yl)azanium Traditional Name: (1,1-dicaprylyl-2-keto-nonyl)-[(E)-octadec-1-enyl]ammonium Formula: C43H82NO3+ MolecularWeight: 661.11608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H81NO3/c1-5-9-13-17-18-19-20-21-22-23-24-25-26-27-31-35-39-44-43(40(45)36-32-28-14-10-6-2,41(46)37-33-29-15-11-7-3)42(47)38-34-30-16-12-8-4/h35,39,44H,5-34,36-38H2,1-4H3/p+1/b39-35+