(E,14Z)-2-azanyl-2-(hydroxymethyl)-14-methoxyimino-3,4,5-tris(oxidanyl)icos-6-enoic acid

Systemtic Name: (E,14Z)-2-azanyl-2-(hydroxymethyl)-14-methoxyimino-3,4,5-tris(oxidanyl)icos-6-enoic acid Openeye Name: (E,14Z)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-methoxyimino-icos-6-enoic acid CAS Name: (E,14Z)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-methoxyimino-6-eicosenoic acid IUPAC Name: (E,14Z)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-methoxyiminoicos-6-enoic acid Traditional Name: (E,14Z)-2-amino-3,4,5-trihydroxy-2-methylol-14-methyloximino-eicos-6-enoic acid Formula: C22H42N2O7 MolecularWeight: 446.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NOC)CCCCCCC=CC(C(C(C(CO)(C(=O)O)N)O)O)O

Isomeric SMILES

CCCCCC/C(=N/OC)/CCCCCC/C=C/C(C(C(C(CO)(C(=O)O)N)O)O)O

InChI

InChI=1S/C22H42N2O7/c1-3-4-5-10-13-17(24-31-2)14-11-8-6-7-9-12-15-18(26)19(27)20(28)22(23,16-25)21(29)30/h12,15,18-20,25-28H,3-11,13-14,16,23H2,1-2H3,(H,29,30)/b15-12+,24-17-