(2E)-5-[8-methyl-2-methylidene-5-(2-oxidanylpropoxy)nonanoyl]peroxycarbonylhexa-2,5-dienoic acid

Systemtic Name: (2E)-5-[8-methyl-2-methylidene-5-(2-oxidanylpropoxy)nonanoyl]peroxycarbonylhexa-2,5-dienoic acid Openeye Name: (2E)-5-[5-(2-hydroxypropoxy)-8-methyl-2-methylene-nonanoyl]peroxycarbonylhexa-2,5-dienoic acid CAS Name: (2E)-5-[[5-(2-hydroxypropoxy)-8-methyl-2-methylene-1-oxononyl]dioxy-oxomethyl]hexa-2,5-dienoic acid IUPAC Name: (2E)-5-[5-(2-hydroxypropoxy)-8-methyl-2-methylidenenonanoyl]peroxycarbonylhexa-2,5-dienoic acid Traditional Name: (2E)-5-[2-[3-(2-hydroxypropoxy)-6-methyl-heptyl]acryloyl]peroxycarbonylhexa-2,5-dienoic acid Formula: C21H32O8 MolecularWeight: 412.47398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCC(=C)C(=O)OOC(=O)C(=C)CC=CC(=O)O)OCC(C)O

Isomeric SMILES

CC(C)CCC(CCC(=C)C(=O)OOC(=O)C(=C)C/C=C/C(=O)O)OCC(C)O

InChI

InChI=1S/C21H32O8/c1-14(2)9-11-18(27-13-17(5)22)12-10-16(4)21(26)29-28-20(25)15(3)7-6-8-19(23)24/h6,8,14,17-18,22H,3-4,7,9-13H2,1-2,5H3,(H,23,24)/b8-6+