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

Systemtic Name: 3-[2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxyethoxycarbonyl]benzoic acid Openeye Name: 3-[2-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxyethoxycarbonyl]benzoic acid CAS Name: 3-[2-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]ethoxy-oxomethyl]benzoic acid IUPAC Name: 3-[2-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxyethoxycarbonyl]benzoic acid Traditional Name: 3-[2-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxyethoxycarbonyl]benzoic acid Formula: C14H12O8 MolecularWeight: 308.24028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCCOC(=O)C=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H12O8/c15-11(16)4-5-12(17)21-6-7-22-14(20)10-3-1-2-9(8-10)13(18)19/h1-5,8H,6-7H2,(H,15,16)(H,18,19)/b5-4+