2-butyl-2-ethyl-propane-1,3-diol; hexanedioic acid

Systemtic Name: 2-butyl-2-ethyl-propane-1,3-diol; hexanedioic acid Openeye Name: adipic acid; 2-butyl-2-ethyl-propane-1,3-diol CAS Name: 2-butyl-2-ethylpropane-1,3-diol; hexanedioic acid IUPAC Name: 2-butyl-2-ethylpropane-1,3-diol; hexanedioic acid Traditional Name: adipic acid; 2-butyl-2-ethyl-propane-1,3-diol Formula: C15H30O6 MolecularWeight: 306.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20O2.C6H10O4/c1-3-5-6-9(4-2,7-10)8-11;7-5(8)3-1-2-4-6(9)10/h10-11H,3-8H2,1-2H3;1-4H2,(H,7,8)(H,9,10)