2-[2-[2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxyethoxy]ethoxycarbonyl]benzoic acid

Systemtic Name: 2-[2-[2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxyethoxy]ethoxycarbonyl]benzoic acid Openeye Name: 2-[2-[2-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxyethoxy]ethoxycarbonyl]benzoic acid CAS Name: 2-[2-[2-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]ethoxy]ethoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-[2-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxyethoxy]ethoxycarbonyl]benzoic acid Traditional Name: 2-[2-[2-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxyethoxy]ethoxycarbonyl]benzoic acid Formula: C16H16O9 MolecularWeight: 352.29284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)C(=O)OCCOCCOC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)OCCOCCOC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H16O9/c17-13(18)5-6-14(19)24-9-7-23-8-10-25-16(22)12-4-2-1-3-11(12)15(20)21/h1-6H,7-10H2,(H,17,18)(H,20,21)/b6-5+