3-(hydroxymethyl)-7,11-dimethyl-7-(oxan-2-yloxy)-12-oxidanyl-dodec-1-en-6-olate

Systemtic Name: 3-(hydroxymethyl)-7,11-dimethyl-7-(oxan-2-yloxy)-12-oxidanyl-dodec-1-en-6-olate Openeye Name: 12-hydroxy-3-(hydroxymethyl)-7,11-dimethyl-7-tetrahydropyran-2-yloxy-dodec-1-en-6-olate CAS Name: 12-hydroxy-3-(hydroxymethyl)-7,11-dimethyl-7-(2-oxanyloxy)-1-dodecen-6-olate IUPAC Name: 12-hydroxy-3-(hydroxymethyl)-7,11-dimethyl-7-(oxan-2-yloxy)dodec-1-en-6-olate Traditional Name: 12-hydroxy-7,11-dimethyl-3-methylol-7-tetrahydropyran-2-yloxy-dodec-1-en-6-olate Formula: C20H37O5- MolecularWeight: 357.50478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C(CCC(CO)C=C)[O-])OC1CCCCO1)CO

Isomeric SMILES

CC(CCCC(C)(C(CCC(CO)C=C)[O-])OC1CCCCO1)CO

InChI

InChI=1S/C20H37O5/c1-4-17(15-22)10-11-18(23)20(3,12-7-8-16(2)14-21)25-19-9-5-6-13-24-19/h4,16-19,21-22H,1,5-15H2,2-3H3/q-1