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

Systemtic Name: 3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonic acid Openeye Name: 3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonic acid CAS Name: 3-methyl-8-bicyclo[3.2.1]octa-1,3,5(8)-trienesulfonic acid IUPAC Name: 3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonic acid Traditional Name: 3-methylbicyclo[3.2.1]octa-1,3,5(8)-triene-8-sulfonic acid Formula: C9H10O3S MolecularWeight: 198.2389

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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)