sodium 4-[[[(E)-octadec-9-enoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: sodium 4-[[[(E)-octadec-9-enoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: sodium 4-[[[(E)-octadec-9-enoyl]amino]methyl]cyclohexanecarboxylate CAS Name: sodium 4-[[[(E)-1-oxooctadec-9-enyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: sodium 4-[[[(E)-octadec-9-enoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: sodium 4-[[[(E)-octadec-9-enoyl]amino]methyl]cyclohexanecarboxylate Formula: C26H46NNaO3 MolecularWeight: 443.63811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC1CCC(CC1)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC1CCC(CC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C26H47NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)27-22-23-18-20-24(21-19-23)26(29)30;/h9-10,23-24H,2-8,11-22H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1/b10-9+;