2-[3-oxidanyl-2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-butyl]butanedioic acid

Systemtic Name: 2-[3-oxidanyl-2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-butyl]butanedioic acid Openeye Name: 2-[3-hydroxy-2-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxy-butyl]butanedioic acid CAS Name: 2-[3-hydroxy-2-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]butyl]butanedioic acid IUPAC Name: 2-[3-hydroxy-2-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxybutyl]butanedioic acid Traditional Name: 2-[3-hydroxy-2-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxy-butyl]succinic acid Formula: C12H16O9 MolecularWeight: 304.25004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(CC(=O)O)C(=O)O)OC(=O)C=CC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16O9/c1-6(13)8(21-11(18)3-2-9(14)15)4-7(12(19)20)5-10(16)17/h2-3,6-8,13H,4-5H2,1H3,(H,14,15)(H,16,17)(H,19,20)/b3-2+