2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonic acid Openeye Name: 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonic acid CAS Name: 2-[4-[2-[(E)-1-oxododec-8-enoxy]ethyl]-1-piperazinyl]ethanesulfonic acid IUPAC Name: 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonic acid Traditional Name: 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazino]ethanesulfonic acid Formula: C20H38N2O5S MolecularWeight: 418.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCCCCCC(=O)OCCN1CCN(CC1)CCS(=O)(=O)O

Isomeric SMILES

CCC/C=C/CCCCCCC(=O)OCCN1CCN(CC1)CCS(=O)(=O)O

InChI

InChI=1S/C20H38N2O5S/c1-2-3-4-5-6-7-8-9-10-11-20(23)27-18-16-21-12-14-22(15-13-21)17-19-28(24,25)26/h4-5H,2-3,6-19H2,1H3,(H,24,25,26)/b5-4+