sodium 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: sodium 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonate Openeye Name: sodium 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonate CAS Name: sodium 2-[4-[2-[(E)-1-oxododec-8-enoxy]ethyl]-1-piperazinyl]ethanesulfonate IUPAC Name: sodium 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonate Traditional Name: sodium 2-[4-[2-[(E)-dodec-8-enoyl]oxyethyl]piperazino]ethanesulfonate Formula: C20H37N2NaO5S MolecularWeight: 440.57295

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCCCCCC(=O)OCCN1CCN(CC1)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC/C=C/CCCCCCC(=O)OCCN1CCN(CC1)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H38N2O5S.Na/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);/q;+1/p-1/b5-4+;