disodium 2-[[(E)-octadec-9-enoyl]amino]hexanedioate

Systemtic Name: disodium 2-[[(E)-octadec-9-enoyl]amino]hexanedioate Openeye Name: disodium 2-[[(E)-octadec-9-enoyl]amino]hexanedioate CAS Name: disodium 2-[[(E)-1-oxooctadec-9-enyl]amino]hexanedioate IUPAC Name: disodium 2-[[(E)-octadec-9-enoyl]amino]hexanedioate Traditional Name: disodium 2-[[(E)-octadec-9-enoyl]amino]adipate Formula: C24H41NNa2O5 MolecularWeight: 469.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CCCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CCCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H43NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(26)25-21(24(29)30)18-17-20-23(27)28;;/h9-10,21H,2-8,11-20H2,1H3,(H,25,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b10-9+;;