sodium 3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoic acid

Systemtic Name: sodium 3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoic acid Openeye Name: sodium 3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoic acid CAS Name: sodium 3-(4-hydroxyphenyl)-2-(1-oxopentadecylamino)propanoic acid IUPAC Name: sodium 3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoic acid Traditional Name: sodium 3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propionic acid Formula: C24H39NNaO4+ MolecularWeight: 428.56053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O.[Na+]

InChI

InChI=1S/C24H39NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23(27)25-22(24(28)29)19-20-15-17-21(26)18-16-20;/h15-18,22,26H,2-14,19H2,1H3,(H,25,27)(H,28,29);/q;+1