sodium 3-[2-hydroxyethyl-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-[2-hydroxyethyl-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 2-hydroxy-3-[2-hydroxyethyl-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonate CAS Name: sodium 2-hydroxy-3-[2-hydroxyethyl-[2-[[(Z)-1-oxooctadec-9-enyl]amino]ethyl]amino]-1-propanesulfonate IUPAC Name: sodium 2-hydroxy-3-[2-hydroxyethyl-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonate Traditional Name: sodium 2-hydroxy-3-[2-hydroxyethyl-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonate Formula: C25H49N2NaO6S MolecularWeight: 528.72113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCO)CC(CS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(CCO)CC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C25H50N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-18-19-27(20-21-28)22-24(29)23-34(31,32)33;/h9-10,24,28-29H,2-8,11-23H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1/b10-9-;