(E)-19-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]carbonyltricos-9-enedioic acid

Systemtic Name: (E)-19-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]carbonyltricos-9-enedioic acid Openeye Name: (E)-19-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonyltricos-9-enedioic acid CAS Name: (E)-19-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-oxomethyl]-9-tricosenedioic acid IUPAC Name: (E)-19-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonyltricos-9-enedioic acid Traditional Name: (E)-19-(3-hydroxy-2,2-dimethylol-propoxy)carbonyltricos-9-enedioic acid Formula: C29H52O9 MolecularWeight: 544.71778

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCC(CCCC(=O)O)C(=O)OCC(CO)(CO)CO)CCCC=CCCCCCCCC(=O)O

Isomeric SMILES

C(CCCCC(CCCC(=O)O)C(=O)OCC(CO)(CO)CO)CCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C29H52O9/c30-21-29(22-31,23-32)24-38-28(37)25(18-16-20-27(35)36)17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-26(33)34/h1,3,25,30-32H,2,4-24H2,(H,33,34)(H,35,36)/b3-1+