4-[4-(15-methylhexadecylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(15-methylhexadecylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 2,3-dihydroxy-4-[4-(15-methylhexadecylamino)phenyl]-4-oxo-butanoic acid CAS Name: 2,3-dihydroxy-4-[4-(15-methylhexadecylamino)phenyl]-4-oxobutanoic acid IUPAC Name: 2,3-dihydroxy-4-[4-(15-methylhexadecylamino)phenyl]-4-oxobutanoic acid Traditional Name: 2,3-dihydroxy-4-keto-4-[4-(15-methylhexadecylamino)phenyl]butyric acid Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C27H45NO5/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-20-28-23-18-16-22(17-19-23)24(29)25(30)26(31)27(32)33/h16-19,21,25-26,28,30-31H,3-15,20H2,1-2H3,(H,32,33)