butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid

Systemtic Name: butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid Openeye Name: adipic acid; butane-1,3-diol; 2,2-dimethylpropane-1,3-diol CAS Name: butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid IUPAC Name: butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid Traditional Name: adipic acid; butane-1,3-diol; 2,2-dimethylpropane-1,3-diol Formula: C15H32O8 MolecularWeight: 340.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C5H12O2.C4H10O2/c7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7;1-4(6)2-3-5/h1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;4-6H,2-3H2,1H3