butane-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid

Systemtic Name: butane-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid Openeye Name: adipic acid; butane-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: butane-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid IUPAC Name: butane-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid Traditional Name: adipic acid; butane-1,4-diol; 2-ethyl-2-methylol-propane-1,3-diol Formula: C16H34O9 MolecularWeight: 370.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C6H14O3.C4H10O2/c7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;5-3-1-2-4-6/h1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;5-6H,1-4H2