2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 16-methylheptadecanoic acid; 8-methylnonanoic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 16-methylheptadecanoic acid; 8-methylnonanoic acid Openeye Name: adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 16-methylheptadecanoic acid; 8-methylnonanoic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 16-methylheptadecanoic acid; 8-methylnonanoic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 16-methylheptadecanoic acid; 8-methylnonanoic acid Traditional Name: adipic acid; 2-ethyl-2-methylol-propane-1,3-diol; 16-methylheptadecanoic acid; 8-methylpelargonic acid Formula: C40H80O11 MolecularWeight: 737.0566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCC(=O)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCC(=O)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C18H36O2.C10H20O2.C6H10O4.C6H14O3/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-9(2)7-5-3-4-6-8-10(11)12;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9/h17H,3-16H2,1-2H3,(H,19,20);9H,3-8H2,1-2H3,(H,11,12);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3