3-[2,2-dimethyl-3-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-propoxy]carbonylbenzoic acid

Systemtic Name: 3-[2,2-dimethyl-3-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-propoxy]carbonylbenzoic acid Openeye Name: 3-[3-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxy-2,2-dimethyl-propoxy]carbonylbenzoic acid CAS Name: 3-[[3-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]-2,2-dimethylpropoxy]-oxomethyl]benzoic acid IUPAC Name: 3-[3-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxy-2,2-dimethylpropoxy]carbonylbenzoic acid Traditional Name: 3-[3-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxy-2,2-dimethyl-propoxy]carbonylbenzoic acid Formula: C17H18O8 MolecularWeight: 350.32002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O8/c1-17(2,9-24-14(20)7-6-13(18)19)10-25-16(23)12-5-3-4-11(8-12)15(21)22/h3-8H,9-10H2,1-2H3,(H,18,19)(H,21,22)/b7-6+