2-[[(12E,15E)-17-methyl-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]butanedioic acid

Systemtic Name: 2-[[(12E,15E)-17-methyl-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]butanedioic acid Openeye Name: 2-[[(12E,15E)-9-hydroxy-17-methyl-10-oxo-octadeca-12,15-dienoyl]amino]butanedioic acid CAS Name: 2-[[(12E,15E)-9-hydroxy-17-methyl-1,10-dioxooctadeca-12,15-dienyl]amino]butanedioic acid IUPAC Name: 2-[[(12E,15E)-9-hydroxy-17-methyl-10-oxooctadeca-12,15-dienoyl]amino]butanedioic acid Traditional Name: 2-[[(12E,15E)-9-hydroxy-10-keto-17-methyl-octadeca-12,15-dienoyl]amino]succinic acid Formula: C23H37NO7 MolecularWeight: 439.54238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CCC=CCC(=O)C(CCCCCCCC(=O)NC(CC(=O)O)C(=O)O)O

Isomeric SMILES

CC(C)/C=C/C/C=C/CC(=O)C(CCCCCCCC(=O)NC(CC(=O)O)C(=O)O)O

InChI

InChI=1S/C23H37NO7/c1-17(2)12-8-6-7-10-14-20(26)19(25)13-9-4-3-5-11-15-21(27)24-18(23(30)31)16-22(28)29/h7-8,10,12,17-19,25H,3-6,9,11,13-16H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)/b10-7+,12-8+