(9E)-20-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]carbonylhenicosa-9,20-dienoic acid

Systemtic Name: (9E)-20-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]carbonylhenicosa-9,20-dienoic acid Openeye Name: (9E)-20-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonylhenicosa-9,20-dienoic acid CAS Name: (9E)-20-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-oxomethyl]heneicosa-9,20-dienoic acid IUPAC Name: (9E)-20-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonylhenicosa-9,20-dienoic acid Traditional Name: (9E)-20-(3-hydroxy-2,2-dimethylol-propoxy)carbonylheneicosa-9,20-dienoic acid Formula: C27H48O7 MolecularWeight: 484.66582

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCCCCCCCC=CCCCCCCCC(=O)O)C(=O)OCC(CO)(CO)CO

Isomeric SMILES

C=C(CCCCCCCCC/C=C/CCCCCCCC(=O)O)C(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C27H48O7/c1-24(26(33)34-23-27(20-28,21-29)22-30)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(31)32/h3,5,28-30H,1-2,4,6-23H2,(H,31,32)/b5-3+