sodium; 3-chloranyl-2-oxidanyl-propane-1-sulfonate; 2-[2-[(E)-heptadec-2-en-8-yl]-4,5-dihydroimidazol-1-yl]ethanol

Systemtic Name: sodium; 3-chloranyl-2-oxidanyl-propane-1-sulfonate; 2-[2-[(E)-heptadec-2-en-8-yl]-4,5-dihydroimidazol-1-yl]ethanol Openeye Name: sodium; 3-chloro-2-hydroxy-propane-1-sulfonate; 2-[2-[1-[(E)-hept-5-enyl]decyl]-4,5-dihydroimidazol-1-yl]ethanol CAS Name: sodium; 3-chloro-2-hydroxy-1-propanesulfonate; 2-[2-[(E)-heptadec-2-en-8-yl]-4,5-dihydroimidazol-1-yl]ethanol IUPAC Name: sodium; 3-chloro-2-hydroxypropane-1-sulfonate; 2-[2-[(E)-heptadec-2-en-8-yl]-4,5-dihydroimidazol-1-yl]ethanol Traditional Name: sodium; 3-chloro-2-hydroxy-propane-1-sulfonate; 2-[2-[(E)-1-nonyloct-6-enyl]-2-imidazolin-1-yl]ethanol Formula: C25H48ClN2NaO5S MolecularWeight: 547.16679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCC=CC)C1=NCCN1CCO.C(C(CCl)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCC/C=C/C)C1=NCCN1CCO.C(C(CCl)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H42N2O.C3H7ClO4S.Na/c1-3-5-7-9-10-12-14-16-21(15-13-11-8-6-4-2)22-23-17-18-24(22)19-20-25;4-1-3(5)2-9(6,7)8;/h4,6,21,25H,3,5,7-20H2,1-2H3;3,5H,1-2H2,(H,6,7,8);/q;;+1/p-1/b6-4+;;