4-[(Z)-2-(3,4-dicarboxyphenyl)carbonyloxy-5-methyl-6-oxidanyl-6-oxidanylidene-hex-4-enoxy]carbonylphthalic acid

Systemtic Name: 4-[(Z)-2-(3,4-dicarboxyphenyl)carbonyloxy-5-methyl-6-oxidanyl-6-oxidanylidene-hex-4-enoxy]carbonylphthalic acid Openeye Name: 4-[(Z)-2-(3,4-dicarboxybenzoyl)oxy-6-hydroxy-5-methyl-6-oxo-hex-4-enoxy]carbonylphthalic acid CAS Name: 4-[[(Z)-2-[(3,4-dicarboxyphenyl)-oxomethoxy]-6-hydroxy-5-methyl-6-oxohex-4-enoxy]-oxomethyl]phthalic acid IUPAC Name: 4-[(Z)-2-(3,4-dicarboxybenzoyl)oxy-6-hydroxy-5-methyl-6-oxohex-4-enoxy]carbonylphthalic acid Traditional Name: 4-[(Z)-2-(3,4-dicarboxybenzoyl)oxy-6-hydroxy-6-keto-5-methyl-hex-4-enoxy]carbonylphthalic acid Formula: C25H20O14 MolecularWeight: 544.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(COC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C/C(=C/CC(COC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)/C(=O)O

InChI

InChI=1S/C25H20O14/c1-11(19(26)27)2-5-14(39-25(37)13-4-7-16(21(30)31)18(9-13)23(34)35)10-38-24(36)12-3-6-15(20(28)29)17(8-12)22(32)33/h2-4,6-9,14H,5,10H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)/b11-2-