4-(hydroxymethyl)-4-oxidanyl-hexanal; prop-1-en-2-olate

Systemtic Name: 4-(hydroxymethyl)-4-oxidanyl-hexanal; prop-1-en-2-olate Openeye Name: 4-hydroxy-4-(hydroxymethyl)hexanal; prop-1-en-2-olate CAS Name: 4-hydroxy-4-(hydroxymethyl)hexanal; 1-propen-2-olate IUPAC Name: 4-hydroxy-4-(hydroxymethyl)hexanal; prop-1-en-2-olate Traditional Name: 4-hydroxy-4-methylol-hexanal; prop-1-en-2-olate Formula: C10H19O4- MolecularWeight: 203.25546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC=O)(CO)O.CC(=C)[O-]

Isomeric SMILES

CCC(CCC=O)(CO)O.CC(=C)[O-]

InChI

InChI=1S/C7H14O3.C3H6O/c1-2-7(10,6-9)4-3-5-8;1-3(2)4/h5,9-10H,2-4,6H2,1H3;4H,1H2,2H3/p-1