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

Systemtic Name: (E)-6,6-bis(hydroxymethyl)-2-methyl-7-oxidanyl-hept-2-enoate Openeye Name: (E)-7-hydroxy-6,6-bis(hydroxymethyl)-2-methyl-hept-2-enoate CAS Name: (E)-7-hydroxy-6,6-bis(hydroxymethyl)-2-methyl-2-heptenoate IUPAC Name: (E)-7-hydroxy-6,6-bis(hydroxymethyl)-2-methylhept-2-enoate Traditional Name: (E)-7-hydroxy-2-methyl-6,6-dimethylol-hept-2-enoate Formula: C10H17O5- MolecularWeight: 217.23898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\CCC(CO)(CO)CO)/C(=O)[O-]

InChI

InChI=1S/C10H18O5/c1-8(9(14)15)3-2-4-10(5-11,6-12)7-13/h3,11-13H,2,4-7H2,1H3,(H,14,15)/p-1/b8-3+