2-[1-oxidanyl-3-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-propan-2-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[1-oxidanyl-3-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-propan-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[1-(hydroxymethyl)-2-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxy-ethoxy]carbonylbenzoic acid CAS Name: 2-[[1-hydroxy-3-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]propan-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[1-hydroxy-3-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxypropan-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[2-hydroxy-1-[[(E)-4-hydroxy-4-keto-but-2-enoyl]oxymethyl]ethoxy]carbonylbenzoic acid Formula: C15H14O9 MolecularWeight: 338.26626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)C(=O)OC(CO)COC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)OC(CO)COC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H14O9/c16-7-9(8-23-13(19)6-5-12(17)18)24-15(22)11-4-2-1-3-10(11)14(20)21/h1-6,9,16H,7-8H2,(H,17,18)(H,20,21)/b6-5+