2-[2-[3-(2,18-dimethylnonadecanoyloxy)-4-ethanoylperoxy-4-oxidanylidene-butanoyl]peroxy-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[2-[3-(2,18-dimethylnonadecanoyloxy)-4-ethanoylperoxy-4-oxidanylidene-butanoyl]peroxy-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[2-[4-acetylperoxy-3-(2,18-dimethylnonadecanoyloxy)-4-oxo-butanoyl]peroxy-2-oxo-ethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[2-[4-acetyldioxy-3-(2,18-dimethyl-1-oxononadecoxy)-1,4-dioxobutyl]dioxy-2-oxoethyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[2-[4-acetylperoxy-3-(2,18-dimethylnonadecanoyloxy)-4-oxobutanoyl]peroxy-2-oxoethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[2-[4-acetylperoxy-3-(2,18-dimethylnonadecanoyloxy)-4-keto-butanoyl]peroxy-2-keto-ethyl]-2-hydroxy-succinic acid Formula: C33H54O15 MolecularWeight: 690.77286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC(C)C(=O)OC(CC(=O)OOC(=O)CC(CC(=O)O)(C(=O)O)O)C(=O)OOC(=O)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC(C)C(=O)OC(CC(=O)OOC(=O)CC(CC(=O)O)(C(=O)O)O)C(=O)OOC(=O)C

InChI

InChI=1S/C33H54O15/c1-23(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24(3)30(39)44-26(31(40)48-45-25(4)34)20-28(37)46-47-29(38)22-33(43,32(41)42)21-27(35)36/h23-24,26,43H,5-22H2,1-4H3,(H,35,36)(H,41,42)