19-[2,3-bis(oxidanyl)propoxycarbonyl]-28-methyl-nonacosanoic acid; hexanedioic acid

Systemtic Name: 19-[2,3-bis(oxidanyl)propoxycarbonyl]-28-methyl-nonacosanoic acid; hexanedioic acid Openeye Name: adipic acid; 19-(2,3-dihydroxypropoxycarbonyl)-28-methyl-nonacosanoic acid CAS Name: 19-[2,3-dihydroxypropoxy(oxo)methyl]-28-methylnonacosanoic acid; hexanedioic acid IUPAC Name: 19-(2,3-dihydroxypropoxycarbonyl)-28-methylnonacosanoic acid; hexanedioic acid Traditional Name: adipic acid; 19-glyceryloxycarbonyl-28-methyl-nonacosanoic acid Formula: C40H76O10 MolecularWeight: 717.02544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H66O6.C6H10O4/c1-30(2)24-20-16-14-15-18-22-26-31(34(39)40-29-32(36)28-35)25-21-17-12-10-8-6-4-3-5-7-9-11-13-19-23-27-33(37)38;7-5(8)3-1-2-4-6(9)10/h30-32,35-36H,3-29H2,1-2H3,(H,37,38);1-4H2,(H,7,8)(H,9,10)