3-(3-chloranyl-2-sulfo-cyclohexa-1,3-dien-1-yl)benzenesulfonic acid

Systemtic Name: 3-(3-chloranyl-2-sulfo-cyclohexa-1,3-dien-1-yl)benzenesulfonic acid Openeye Name: 3-(3-chloro-2-sulfo-cyclohexa-1,3-dien-1-yl)benzenesulfonic acid CAS Name: 3-(3-chloro-2-sulfo-1-cyclohexa-1,3-dienyl)benzenesulfonic acid IUPAC Name: 3-(3-chloro-2-sulfocyclohexa-1,3-dien-1-yl)benzenesulfonic acid Traditional Name: 3-(3-chloro-2-sulfo-cyclohexa-1,3-dien-1-yl)besylic acid Formula: C12H11ClO6S2 MolecularWeight: 350.79514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClO6S2/c13-11-6-2-5-10(12(11)21(17,18)19)8-3-1-4-9(7-8)20(14,15)16/h1,3-4,6-7H,2,5H2,(H,14,15,16)(H,17,18,19)