(E)-6,6-bis(hydroxymethyl)-7-oxidanyl-hept-2-enoate

Systemtic Name: (E)-6,6-bis(hydroxymethyl)-7-oxidanyl-hept-2-enoate Openeye Name: (E)-7-hydroxy-6,6-bis(hydroxymethyl)hept-2-enoate CAS Name: (E)-7-hydroxy-6,6-bis(hydroxymethyl)-2-heptenoate IUPAC Name: (E)-7-hydroxy-6,6-bis(hydroxymethyl)hept-2-enoate Traditional Name: (E)-7-hydroxy-6,6-dimethylol-hept-2-enoate Formula: C9H15O5- MolecularWeight: 203.2124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(CC(CO)(CO)CO)/C=C/C(=O)[O-]

InChI

InChI=1S/C9H16O5/c10-5-9(6-11,7-12)4-2-1-3-8(13)14/h1,3,10-12H,2,4-7H2,(H,13,14)/p-1/b3-1+