2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid; methyl (E)-octadec-9-enoate

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid; methyl (E)-octadec-9-enoate Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid; methyl (E)-octadec-9-enoate CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]ethanesulfonic acid; (E)-9-octadecenoic acid methyl ester IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid; methyl (E)-octadec-9-enoate Traditional Name: 2-[4-(2-hydroxyethyl)piperazino]ethanesulfonic acid; (E)-octadec-9-enoic acid methyl ester Formula: C27H54N2O6S MolecularWeight: 534.79246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC.C1CN(CCN1CCO)CCS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC.C1CN(CCN1CCO)CCS(=O)(=O)O

InChI

InChI=1S/C19H36O2.C8H18N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h10-11H,3-9,12-18H2,1-2H3;11H,1-8H2,(H,12,13,14)/b11-10+;