7-(benzotriazol-2-yl)heptane-1-sulfonic acid

Systemtic Name: 7-(benzotriazol-2-yl)heptane-1-sulfonic acid Openeye Name: 7-(benzotriazol-2-yl)heptane-1-sulfonic acid CAS Name: 7-(2-benzotriazolyl)-1-heptanesulfonic acid IUPAC Name: 7-(benzotriazol-2-yl)heptane-1-sulfonic acid Traditional Name: 7-(benzotriazol-2-yl)heptane-1-sulfonic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)CCCCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)CCCCCCCS(=O)(=O)O

InChI

InChI=1S/C13H19N3O3S/c17-20(18,19)11-7-3-1-2-6-10-16-14-12-8-4-5-9-13(12)15-16/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18,19)