disodium 2-[[(E)-octadec-9-enyl]amino]pentanedioate

Systemtic Name: disodium 2-[[(E)-octadec-9-enyl]amino]pentanedioate Openeye Name: disodium 2-[[(E)-octadec-9-enyl]amino]pentanedioate CAS Name: disodium 2-[[(E)-octadec-9-enyl]amino]pentanedioate IUPAC Name: disodium 2-[[(E)-octadec-9-enyl]amino]pentanedioate Traditional Name: disodium 2-[[(E)-octadec-9-enyl]amino]glutarate Formula: C23H41NNa2O4 MolecularWeight: 441.55548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H43NO4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21(23(27)28)18-19-22(25)26;;/h9-10,21,24H,2-8,11-20H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/b10-9+;;