2-phenoxy-3-sulfonyl-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 2-phenoxy-3-sulfonyl-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 2-phenoxy-3-sulfonyl-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 2-phenoxy-3-sulfonyl-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 2-phenoxy-3-sulfonylcyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 2-phenoxy-3-sulfonyl-cyclohexa-1,5-diene-1-sulfonic acid Formula: C12H10O6S2 MolecularWeight: 314.3342

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C(C1=S(=O)=O)OC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1C=CC(=C(C1=S(=O)=O)OC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H10O6S2/c13-19(14)10-7-4-8-11(20(15,16)17)12(10)18-9-5-2-1-3-6-9/h1-6,8H,7H2,(H,15,16,17)