2,4-bis[[13-(hydroxymethyl)-13-methyl-14-oxidanyl-tetradecanoyl]oxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[[13-(hydroxymethyl)-13-methyl-14-oxidanyl-tetradecanoyl]oxy]benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis[[14-hydroxy-13-(hydroxymethyl)-13-methyl-tetradecanoyl]oxy]benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis[14-hydroxy-13-(hydroxymethyl)-13-methyl-1-oxotetradecoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[[14-hydroxy-13-(hydroxymethyl)-13-methyltetradecanoyl]oxy]benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis[(14-hydroxy-13-methyl-13-methylol-tetradecanoyl)oxy]isophthalic acid Formula: C40H66O12 MolecularWeight: 738.94484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1)C(=O)O)OC(=O)CCCCCCCCCCCC(C)(CO)CO)C(=O)O)(CO)CO

Isomeric SMILES

CC(CCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1)C(=O)O)OC(=O)CCCCCCCCCCCC(C)(CO)CO)C(=O)O)(CO)CO

InChI

InChI=1S/C40H66O12/c1-39(27-41,28-42)25-19-15-11-7-3-5-9-13-17-21-33(45)51-32-24-23-31(37(47)48)36(35(32)38(49)50)52-34(46)22-18-14-10-6-4-8-12-16-20-26-40(2,29-43)30-44/h23-24,41-44H,3-22,25-30H2,1-2H3,(H,47,48)(H,49,50)