1-phenylcyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: 1-phenylcyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 1-phenylcyclohexa-2,5-diene-1-sulfonic acid CAS Name: 1-phenyl-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 1-phenylcyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 1-phenylcyclohexa-2,5-diene-1-sulfonic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O3S/c13-16(14,15)12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-10H,2H2,(H,13,14,15)