19-[2,3-bis(oxidanyl)propoxycarbonyl]pentacosanoic acid; hexanedioic acid

Systemtic Name: 19-[2,3-bis(oxidanyl)propoxycarbonyl]pentacosanoic acid; hexanedioic acid Openeye Name: adipic acid; 19-(2,3-dihydroxypropoxycarbonyl)pentacosanoic acid CAS Name: 19-[2,3-dihydroxypropoxy(oxo)methyl]pentacosanoic acid; hexanedioic acid IUPAC Name: 19-(2,3-dihydroxypropoxycarbonyl)pentacosanoic acid; hexanedioic acid Traditional Name: adipic acid; 19-glyceryloxycarbonylpentacosanoic acid Formula: C35H66O10 MolecularWeight: 646.89254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)C(=O)OCC(CO)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)C(=O)OCC(CO)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C29H56O6.C6H10O4/c1-2-3-4-18-21-26(29(34)35-25-27(31)24-30)22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20-23-28(32)33;7-5(8)3-1-2-4-6(9)10/h26-27,30-31H,2-25H2,1H3,(H,32,33);1-4H2,(H,7,8)(H,9,10)