5-[2-(hydroxymethyl)-3-(2-methylidene-6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-2-[(2-methylidene-6-oxidanyl-6-oxidanylidene-hexanoyl)oxymethyl]propoxy]carbonylhex-5-enoic acid

Systemtic Name: 5-[2-(hydroxymethyl)-3-(2-methylidene-6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-2-[(2-methylidene-6-oxidanyl-6-oxidanylidene-hexanoyl)oxymethyl]propoxy]carbonylhex-5-enoic acid Openeye Name: 5-[2-(hydroxymethyl)-3-(6-hydroxy-2-methylene-6-oxo-hexanoyl)oxy-2-[(6-hydroxy-2-methylene-6-oxo-hexanoyl)oxymethyl]propoxy]carbonylhex-5-enoic acid CAS Name: 5-[[2-(hydroxymethyl)-3-(6-hydroxy-2-methylene-1,6-dioxohexoxy)-2-[(6-hydroxy-2-methylene-1,6-dioxohexoxy)methyl]propoxy]-oxomethyl]-5-hexenoic acid IUPAC Name: 5-[2-(hydroxymethyl)-3-(6-hydroxy-2-methylidene-6-oxohexanoyl)oxy-2-[(6-hydroxy-2-methylidene-6-oxohexanoyl)oxymethyl]propoxy]carbonylhex-5-enoic acid Traditional Name: 5-[3-hydroxy-2,2-bis[[2-(4-hydroxy-4-keto-butyl)acryloyl]oxymethyl]propoxy]carbonylhex-5-enoic acid Formula: C26H36O13 MolecularWeight: 556.55624

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCC(=O)O)C(=O)OCC(CO)(COC(=O)C(=C)CCCC(=O)O)COC(=O)C(=C)CCCC(=O)O

Isomeric SMILES

C=C(CCCC(=O)O)C(=O)OCC(CO)(COC(=O)C(=C)CCCC(=O)O)COC(=O)C(=C)CCCC(=O)O

InChI

InChI=1S/C26H36O13/c1-17(7-4-10-20(28)29)23(34)37-14-26(13-27,15-38-24(35)18(2)8-5-11-21(30)31)16-39-25(36)19(3)9-6-12-22(32)33/h27H,1-16H2,(H,28,29)(H,30,31)(H,32,33)