2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoic acid; phosphoric acid

Systemtic Name: 2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoic acid; phosphoric acid Openeye Name: 2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoic acid; phosphoric acid CAS Name: 3-(4-hydroxyphenyl)-2-(1-oxohexadecylamino)propanoic acid; phosphoric acid IUPAC Name: 2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoic acid; phosphoric acid Traditional Name: 3-(4-hydroxyphenyl)-2-palmitamido-propionic acid; phosphoric acid Formula: C25H44NO8P MolecularWeight: 517.592521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O.OP(=O)(O)O

InChI

InChI=1S/C25H41NO4.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)26-23(25(29)30)20-21-16-18-22(27)19-17-21;1-5(2,3)4/h16-19,23,27H,2-15,20H2,1H3,(H,26,28)(H,29,30);(H3,1,2,3,4)