4-[2-acetyloxy-2-[2-(16-methylheptadecoxy)-2-oxidanylidene-ethyl]-4-oxidanylidene-4-propanoylperoxy-butanoyl]peroxy-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-acetyloxy-2-[2-(16-methylheptadecoxy)-2-oxidanylidene-ethyl]-4-oxidanylidene-4-propanoylperoxy-butanoyl]peroxy-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-acetoxy-2-[2-(16-methylheptadecoxy)-2-oxo-ethyl]-4-oxo-4-propanoylperoxy-butanoyl]peroxy-3-hydroxy-4-oxo-butanoic acid CAS Name: 4-[2-acetyloxy-2-[2-(16-methylheptadecoxy)-2-oxoethyl]-1,4-dioxo-4-(1-oxopropyldioxy)butyl]dioxy-3-hydroxy-4-oxobutanoic acid IUPAC Name: 4-[2-acetyloxy-2-[2-(16-methylheptadecoxy)-2-oxoethyl]-4-oxo-4-propanoylperoxybutanoyl]peroxy-3-hydroxy-4-oxobutanoic acid Traditional Name: 4-[2-acetoxy-4-keto-2-[2-keto-2-(16-methylheptadecoxy)ethyl]-4-propionylperoxy-butanoyl]peroxy-3-hydroxy-4-keto-butyric acid Formula: C33H54O15 MolecularWeight: 690.77286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCC(C)C)(C(=O)OOC(=O)C(CC(=O)O)O)OC(=O)C

Isomeric SMILES

CCC(=O)OOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCC(C)C)(C(=O)OOC(=O)C(CC(=O)O)O)OC(=O)C

InChI

InChI=1S/C33H54O15/c1-5-28(38)45-46-30(40)23-33(44-25(4)34,32(42)48-47-31(41)26(35)21-27(36)37)22-29(39)43-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24(2)3/h24,26,35H,5-23H2,1-4H3,(H,36,37)