3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enyl]amino]ethyl]amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enyl]amino]ethyl]amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enyl]amino]ethyl]amino]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enyl]amino]ethyl]amino]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enyl]amino]ethyl]amino]propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enyl]amino]ethyl]amino]propane-1-sulfonic acid Formula: C25H52N2O5S MolecularWeight: 492.75578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNCCN(CCO)CC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNCCN(CCO)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C25H52N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-27(21-22-28)23-25(29)24-33(30,31)32/h9-10,25-26,28-29H,2-8,11-24H2,1H3,(H,30,31,32)/b10-9+