sodium 2-[4-[2-[(E)-octadec-9-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: sodium 2-[4-[2-[(E)-octadec-9-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonate Openeye Name: sodium 2-[4-[2-[(E)-octadec-9-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonate CAS Name: sodium 2-[4-[2-[(E)-1-oxooctadec-9-enoxy]ethyl]-1-piperazinyl]ethanesulfonate IUPAC Name: sodium 2-[4-[2-[(E)-octadec-9-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonate Traditional Name: sodium 2-[4-[2-[(E)-octadec-9-enoyl]oxyethyl]piperazino]ethanesulfonate Formula: C26H49N2NaO5S MolecularWeight: 524.73243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H50N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)33-24-22-27-18-20-28(21-19-27)23-25-34(30,31)32;/h9-10H,2-8,11-25H2,1H3,(H,30,31,32);/q;+1/p-1/b10-9+;