7-ethyl-2,4,4-trimethyl-undecane-3,5-diol; hexanedioic acid; propane-1,2-diol

Systemtic Name: 7-ethyl-2,4,4-trimethyl-undecane-3,5-diol; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; 7-ethyl-2,4,4-trimethyl-undecane-3,5-diol; propane-1,2-diol CAS Name: 7-ethyl-2,4,4-trimethylundecane-3,5-diol; hexanedioic acid; propane-1,2-diol IUPAC Name: 7-ethyl-2,4,4-trimethylundecane-3,5-diol; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; 7-ethyl-2,4,4-trimethyl-undecane-3,5-diol; propane-1,2-diol Formula: C25H52O8 MolecularWeight: 480.67558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(C)(C)C(C(C)C)O)O.CC(CO)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCC(CC)CC(C(C)(C)C(C(C)C)O)O.CC(CO)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C16H34O2.C6H10O4.C3H8O2/c1-7-9-10-13(8-2)11-14(17)16(5,6)15(18)12(3)4;7-5(8)3-1-2-4-6(9)10;1-3(5)2-4/h12-15,17-18H,7-11H2,1-6H3;1-4H2,(H,7,8)(H,9,10);3-5H,2H2,1H3