2-[4-[2-[(Z)-octadec-9-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonic acid; sodium

Systemtic Name: 2-[4-[2-[(Z)-octadec-9-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonic acid; sodium Openeye Name: 2-[4-[2-[(Z)-octadec-9-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonic acid; sodium CAS Name: 2-[4-[2-[(Z)-1-oxooctadec-9-enoxy]ethyl]-1-piperazinyl]ethanesulfonic acid; sodium IUPAC Name: 2-[4-[2-[(Z)-octadec-9-enoyl]oxyethyl]piperazin-1-yl]ethanesulfonic acid; sodium Traditional Name: 2-[4-[2-[(Z)-octadec-9-enoyl]oxyethyl]piperazino]ethanesulfonic acid; sodium Formula: C26H50N2NaO5S MolecularWeight: 525.74037

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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);/b10-9-;