9-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]carbonyl-9-hexadecyl-nonadecanedioic acid; hexanedioic acid

Systemtic Name: 9-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]carbonyl-9-hexadecyl-nonadecanedioic acid; hexanedioic acid Openeye Name: adipic acid; 9-hexadecyl-9-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonyl-nonadecanedioic acid CAS Name: 9-hexadecyl-9-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-oxomethyl]nonadecanedioic acid; hexanedioic acid IUPAC Name: 9-hexadecyl-9-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonylnonadecanedioic acid; hexanedioic acid Traditional Name: adipic acid; 9-cetyl-9-(3-hydroxy-2,2-dimethylol-propoxy)carbonyl-nonadecanedioic acid Formula: C47H88O13 MolecularWeight: 861.19382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCC(=O)O)(CCCCCCCC(=O)O)C(=O)OCC(CO)(CO)CO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCC(=O)O)(CCCCCCCC(=O)O)C(=O)OCC(CO)(CO)CO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C41H78O9.C6H10O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-25-30-41(32-27-22-17-19-24-29-38(47)48,39(49)50-36-40(33-42,34-43)35-44)31-26-21-16-13-14-18-23-28-37(45)46;7-5(8)3-1-2-4-6(9)10/h42-44H,2-36H2,1H3,(H,45,46)(H,47,48);1-4H2,(H,7,8)(H,9,10)