2-phenylcyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 2-phenylcyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 2-phenylcyclohexa-1,3-diene-1-sulfonic acid CAS Name: 2-phenyl-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 2-phenylcyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 2-phenylcyclohexa-1,3-diene-1-sulfonic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1CC(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)O

InChI

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