(2E,5E)-4-(2-methyl-1-oxidanyl-propan-2-yl)-4-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-hepta-2,5-dienedioic acid

Systemtic Name: (2E,5E)-4-(2-methyl-1-oxidanyl-propan-2-yl)-4-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-hepta-2,5-dienedioic acid Openeye Name: (2E,5E)-4-(2-hydroxy-1,1-dimethyl-ethyl)-4-(6-hydroxy-6-oxo-hexanoyl)oxy-hepta-2,5-dienedioic acid CAS Name: (2E,5E)-4-(6-hydroxy-1,6-dioxohexoxy)-4-(1-hydroxy-2-methylpropan-2-yl)hepta-2,5-dienedioic acid IUPAC Name: (2E,5E)-4-(1-hydroxy-2-methylpropan-2-yl)-4-(6-hydroxy-6-oxohexanoyl)oxyhepta-2,5-dienedioic acid Traditional Name: (2E,5E)-4-(2-hydroxy-1,1-dimethyl-ethyl)-4-(6-hydroxy-6-keto-hexanoyl)oxy-hepta-2,5-dienedioic acid Formula: C17H24O9 MolecularWeight: 372.36706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C=CC(=O)O)(C=CC(=O)O)OC(=O)CCCCC(=O)O

Isomeric SMILES

CC(C(OC(=O)CCCCC(=O)O)(/C=C/C(=O)O)/C=C/C(=O)O)(CO)C

InChI

InChI=1S/C17H24O9/c1-16(2,11-18)17(9-7-13(21)22,10-8-14(23)24)26-15(25)6-4-3-5-12(19)20/h7-10,18H,3-6,11H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)/b9-7+,10-8+