2-[(E)-3-acetyloxy-1,2-bis(oxidanyl)-12-oxidanylidene-octadec-4-enyl]-2-azanyl-propanedioic acid

Systemtic Name: 2-[(E)-3-acetyloxy-1,2-bis(oxidanyl)-12-oxidanylidene-octadec-4-enyl]-2-azanyl-propanedioic acid Openeye Name: 2-[(E)-3-acetoxy-1,2-dihydroxy-12-oxo-octadec-4-enyl]-2-amino-propanedioic acid CAS Name: 2-[(E)-3-acetyloxy-1,2-dihydroxy-12-oxooctadec-4-enyl]-2-aminopropanedioic acid IUPAC Name: 2-[(E)-3-acetyloxy-1,2-dihydroxy-12-oxooctadec-4-enyl]-2-aminopropanedioic acid Traditional Name: 2-[(E)-3-acetoxy-1,2-dihydroxy-12-keto-octadec-4-enyl]-2-amino-malonic acid Formula: C23H39NO9 MolecularWeight: 473.55706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCC=CC(C(C(C(C(=O)O)(C(=O)O)N)O)O)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO9/c1-3-4-5-10-13-17(26)14-11-8-6-7-9-12-15-18(33-16(2)25)19(27)20(28)23(24,21(29)30)22(31)32/h12,15,18-20,27-28H,3-11,13-14,24H2,1-2H3,(H,29,30)(H,31,32)/b15-12+