2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol

Systemtic Name: 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; 2-ethylhexan-1-ol; propane-1,2-diol CAS Name: 2-ethyl-1-hexanol; hexanedioic acid; propane-1,2-diol IUPAC Name: 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; 2-ethylhexan-1-ol; propane-1,2-diol Formula: C17H36O7 MolecularWeight: 352.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18O.C6H10O4.C3H8O2/c1-3-5-6-8(4-2)7-9;7-5(8)3-1-2-4-6(9)10;1-3(5)2-4/h8-9H,3-7H2,1-2H3;1-4H2,(H,7,8)(H,9,10);3-5H,2H2,1H3