6-chloranyl-6-methoxy-4-oxidanyl-3-(phenylcarbonyl)cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 6-chloranyl-6-methoxy-4-oxidanyl-3-(phenylcarbonyl)cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3-benzoyl-6-chloro-4-hydroxy-6-methoxy-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3-benzoyl-6-chloro-4-hydroxy-6-methoxy-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3-benzoyl-6-chloro-4-hydroxy-6-methoxycyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3-benzoyl-6-chloro-4-hydroxy-6-methoxy-cyclohexa-1,4-diene-1-sulfonic acid Formula: C14H13ClO6S MolecularWeight: 344.76742

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=C(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)O)Cl

Isomeric SMILES

COC1(C=C(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)O)Cl

InChI

InChI=1S/C14H13ClO6S/c1-21-14(15)8-11(16)10(7-12(14)22(18,19)20)13(17)9-5-3-2-4-6-9/h2-8,10,16H,1H3,(H,18,19,20)