2-[3,5-bis[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]oxycarbonyl]phenyl]carbonyloxybutanedioic acid

Systemtic Name: 2-[3,5-bis[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]oxycarbonyl]phenyl]carbonyloxybutanedioic acid Openeye Name: 2-[3,5-bis[(1-carboxy-3-hydroxy-3-oxo-propoxy)carbonyl]benzoyl]oxybutanedioic acid CAS Name: 2-[[3,5-bis[(1,4-dihydroxy-1,4-dioxobutan-2-yl)oxy-oxomethyl]phenyl]-oxomethoxy]butanedioic acid IUPAC Name: 2-[3,5-bis[(1,4-dihydroxy-1,4-dioxobutan-2-yl)oxycarbonyl]benzoyl]oxybutanedioic acid Traditional Name: 2-[3,5-bis[(1-carboxy-3-hydroxy-3-keto-propoxy)carbonyl]benzoyl]oxysuccinic acid Formula: C21H18O18 MolecularWeight: 558.35682

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)OC(CC(=O)O)C(=O)O)C(=O)OC(CC(=O)O)C(=O)O)C(=O)OC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OC(CC(=O)O)C(=O)O)C(=O)OC(CC(=O)O)C(=O)O)C(=O)OC(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H18O18/c22-13(23)4-10(16(28)29)37-19(34)7-1-8(20(35)38-11(17(30)31)5-14(24)25)3-9(2-7)21(36)39-12(18(32)33)6-15(26)27/h1-3,10-12H,4-6H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)