2-ethylhexane-1,3-diol; hexanedioic acid

Systemtic Name: 2-ethylhexane-1,3-diol; hexanedioic acid Openeye Name: adipic acid; 2-ethylhexane-1,3-diol CAS Name: 2-ethylhexane-1,3-diol; hexanedioic acid IUPAC Name: 2-ethylhexane-1,3-diol; hexanedioic acid Traditional Name: adipic acid; 2-ethylhexane-1,3-diol Formula: C14H28O6 MolecularWeight: 292.36852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18O2.C6H10O4/c1-3-5-8(10)7(4-2)6-9;7-5(8)3-1-2-4-6(9)10/h7-10H,3-6H2,1-2H3;1-4H2,(H,7,8)(H,9,10)