(E)-2-azanyl-2-(hydroxymethyl)-14-oxidanylidene-icos-6-enoic acid

Systemtic Name: (E)-2-azanyl-2-(hydroxymethyl)-14-oxidanylidene-icos-6-enoic acid Openeye Name: (E)-2-amino-2-(hydroxymethyl)-14-oxo-icos-6-enoic acid CAS Name: (E)-2-amino-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid IUPAC Name: (E)-2-amino-2-(hydroxymethyl)-14-oxoicos-6-enoic acid Traditional Name: (E)-2-amino-14-keto-2-methylol-eicos-6-enoic acid Formula: C21H39NO4 MolecularWeight: 369.53866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCC=CCCCC(CO)(C(=O)O)N

Isomeric SMILES

CCCCCCC(=O)CCCCCC/C=C/CCCC(CO)(C(=O)O)N

InChI

InChI=1S/C21H39NO4/c1-2-3-4-12-15-19(24)16-13-10-8-6-5-7-9-11-14-17-21(22,18-23)20(25)26/h7,9,23H,2-6,8,10-18,22H2,1H3,(H,25,26)/b9-7+