2-[[3-(phenylmethyl)-1,2-dihydro-1,2,3-triazol-5-yl]methoxy]ethyl decane-1-sulfonate

Systemtic Name: 2-[[3-(phenylmethyl)-1,2-dihydro-1,2,3-triazol-5-yl]methoxy]ethyl decane-1-sulfonate Openeye Name: 2-[(3-benzyl-1,2-dihydrotriazol-5-yl)methoxy]ethyl decane-1-sulfonate CAS Name: 1-decanesulfonic acid IUPAC Name: 2-[(3-benzyl-1,2-dihydrotriazol-5-yl)methoxy]ethyl decane-1-sulfonate Traditional Name: decane-1-sulfonic acid 2-[(3-benzyl-1,2-dihydrotriazol-5-yl)methoxy]ethyl ester Formula: C22H37N3O4S MolecularWeight: 439.61188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCS(=O)(=O)OCCOCC1=CN(NN1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCS(=O)(=O)OCCOCC1=CN(NN1)CC2=CC=CC=C2

InChI

InChI=1S/C22H37N3O4S/c1-2-3-4-5-6-7-8-12-17-30(26,27)29-16-15-28-20-22-19-25(24-23-22)18-21-13-10-9-11-14-21/h9-11,13-14,19,23-24H,2-8,12,15-18,20H2,1H3