4,5-bis(hydroxymethyl)-7-oxidanyl-hept-1-en-3-one

Systemtic Name: 4,5-bis(hydroxymethyl)-7-oxidanyl-hept-1-en-3-one Openeye Name: 7-hydroxy-4,5-bis(hydroxymethyl)hept-1-en-3-one CAS Name: 7-hydroxy-4,5-bis(hydroxymethyl)-1-hepten-3-one IUPAC Name: 7-hydroxy-4,5-bis(hydroxymethyl)hept-1-en-3-one Traditional Name: 7-hydroxy-4,5-dimethylol-hept-1-en-3-one Formula: C9H16O4 MolecularWeight: 188.22094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4/c1-2-9(13)8(6-12)7(5-11)3-4-10/h2,7-8,10-12H,1,3-6H2