1,2,4-triazol-1-ylmethyl heptane-1-sulfonate

Systemtic Name: 1,2,4-triazol-1-ylmethyl heptane-1-sulfonate Openeye Name: 1,2,4-triazol-1-ylmethyl heptane-1-sulfonate CAS Name: 1-heptanesulfonic acid IUPAC Name: 1,2,4-triazol-1-ylmethyl heptane-1-sulfonate Traditional Name: heptane-1-sulfonic acid 1,2,4-triazol-1-ylmethyl ester Formula: C10H19N3O3S MolecularWeight: 261.34116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)OCN1C=NC=N1

Isomeric SMILES

CCCCCCCS(=O)(=O)OCN1C=NC=N1

InChI

InChI=1S/C10H19N3O3S/c1-2-3-4-5-6-7-17(14,15)16-10-13-9-11-8-12-13/h8-9H,2-7,10H2,1H3