3-[2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxypropoxycarbonyl]benzoic acid

Systemtic Name: 3-[2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxypropoxycarbonyl]benzoic acid Openeye Name: 3-[2-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxypropoxycarbonyl]benzoic acid CAS Name: 3-[2-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]propoxy-oxomethyl]benzoic acid IUPAC Name: 3-[2-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxypropoxycarbonyl]benzoic acid Traditional Name: 3-[2-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxypropoxycarbonyl]benzoic acid Formula: C15H14O8 MolecularWeight: 322.26686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O8/c1-9(23-13(18)6-5-12(16)17)8-22-15(21)11-4-2-3-10(7-11)14(19)20/h2-7,9H,8H2,1H3,(H,16,17)(H,19,20)/b6-5+