azepan-2-one; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: azepan-2-one; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: azepan-2-one; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 2-azepanone; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: azepan-2-one; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: azepan-2-one; 2-ethyl-2-methylol-propane-1,3-diol Formula: C12H25NO4 MolecularWeight: 247.3312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C1CCC(=O)NCC1

Isomeric SMILES

CCC(CO)(CO)CO.C1CCC(=O)NCC1

InChI

InChI=1S/C6H11NO.C6H14O3/c8-6-4-2-1-3-5-7-6;1-2-6(3-7,4-8)5-9/h1-5H2,(H,7,8);7-9H,2-5H2,1H3