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

Systemtic Name: 19-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]heptatriacontanedioate Openeye Name: 19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptatriacontanedioate CAS Name: 19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptatriacontanedioate IUPAC Name: 19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptatriacontanedioate Traditional Name: 19-(3-hydroxy-2,2-dimethylol-propyl)heptatriacontanedioate Formula: C42H80O7-2 MolecularWeight: 697.0804

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)[O-])CC(CO)(CO)CO)CCCCCCCCC(=O)[O-]

Isomeric SMILES

C(CCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)[O-])CC(CO)(CO)CO)CCCCCCCCC(=O)[O-]

InChI

InChI=1S/C42H82O7/c43-36-42(37-44,38-45)35-39(31-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-33-40(46)47)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-41(48)49/h39,43-45H,1-38H2,(H,46,47)(H,48,49)/p-2