3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonate

Systemtic Name: 3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonate Openeye Name: 3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonate CAS Name: 3-methyl-8-bicyclo[3.2.1]octa-1,3,5(8)-trienesulfonate IUPAC Name: 3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonate Traditional Name: 3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonate Formula: C9H9O3S- MolecularWeight: 197.23096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)CC2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C1)CC2)S(=O)(=O)[O-]

InChI

InChI=1S/C9H10O3S/c1-6-4-7-2-3-8(5-6)9(7)13(10,11)12/h4-5H,2-3H2,1H3,(H,10,11,12)/p-1