19-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-12,26-bis(oxidanyl)heptatriacontanedioate

Systemtic Name: 19-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-12,26-bis(oxidanyl)heptatriacontanedioate Openeye Name: 12,26-dihydroxy-19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptatriacontanedioate CAS Name: 12,26-dihydroxy-19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptatriacontanedioate IUPAC Name: 12,26-dihydroxy-19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptatriacontanedioate Traditional Name: 12,26-dihydroxy-19-(3-hydroxy-2,2-dimethylol-propyl)heptatriacontanedioate Formula: C42H80O9-2 MolecularWeight: 729.0792

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCC(=O)[O-])CCCCC(CCCCCCC(CCCCCCC(CCCCCCCCCCC(=O)[O-])O)CC(CO)(CO)CO)O

Isomeric SMILES

C(CCCCCC(=O)[O-])CCCCC(CCCCCCC(CCCCCCC(CCCCCCCCCCC(=O)[O-])O)CC(CO)(CO)CO)O

InChI

InChI=1S/C42H82O9/c43-34-42(35-44,36-45)33-37(25-17-13-15-21-29-38(46)27-19-9-5-1-3-7-11-23-31-40(48)49)26-18-14-16-22-30-39(47)28-20-10-6-2-4-8-12-24-32-41(50)51/h37-39,43-47H,1-36H2,(H,48,49)(H,50,51)/p-2