4-[4-(hexadecylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(hexadecylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(hexadecylamino)phenyl]-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-[4-(hexadecylamino)phenyl]-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-[4-(hexadecylamino)phenyl]-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[4-(cetylamino)phenyl]-2,3-dihydroxy-4-keto-butyric acid Formula: C26H43NO5 MolecularWeight: 449.62332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C26H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-22-18-16-21(17-19-22)23(28)24(29)25(30)26(31)32/h16-19,24-25,27,29-30H,2-15,20H2,1H3,(H,31,32)