trisodium (2S)-2-[octadecyl-[(E)-4-oxidanidyl-4-oxidanylidene-but-2-enoyl]amino]butanedioate

Systemtic Name: trisodium (2S)-2-[octadecyl-[(E)-4-oxidanidyl-4-oxidanylidene-but-2-enoyl]amino]butanedioate Openeye Name: trisodium (2S)-2-[octadecyl-[(E)-4-oxido-4-oxo-but-2-enoyl]amino]butanedioate CAS Name: trisodium (2S)-2-[octadecyl-[(E)-4-oxido-1,4-dioxobut-2-enyl]amino]butanedioate IUPAC Name: trisodium (2S)-2-[octadecyl-[(E)-4-oxido-4-oxobut-2-enoyl]amino]butanedioate Traditional Name: trisodium (2S)-2-[[(E)-4-keto-4-oxido-but-2-enoyl]-stearyl-amino]succinate Formula: C26H42NNa3O7 MolecularWeight: 549.58349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CC(=O)[O-])C(=O)[O-])C(=O)C=CC(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)/C=C/C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H45NO7.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(23(28)18-19-24(29)30)22(26(33)34)21-25(31)32;;;/h18-19,22H,2-17,20-21H2,1H3,(H,29,30)(H,31,32)(H,33,34);;;/q;3*+1/p-3/b19-18+;;;/t22-;;;/m0.../s1