6,6-bis(fluoranyl)-3-(3-sulfophenyl)carbonyl-cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 6,6-bis(fluoranyl)-3-(3-sulfophenyl)carbonyl-cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 6,6-difluoro-3-(3-sulfobenzoyl)cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 6,6-difluoro-3-[oxo-(3-sulfophenyl)methyl]-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 6,6-difluoro-3-(3-sulfobenzoyl)cyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 6,6-difluoro-3-(3-sulfobenzoyl)cyclohexa-1,4-diene-1-sulfonic acid Formula: C13H10F2O7S2 MolecularWeight: 380.341106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)C2C=CC(C(=C2)S(=O)(=O)O)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)C2C=CC(C(=C2)S(=O)(=O)O)(F)F

InChI

InChI=1S/C13H10F2O7S2/c14-13(15)5-4-9(7-11(13)24(20,21)22)12(16)8-2-1-3-10(6-8)23(17,18)19/h1-7,9H,(H,17,18,19)(H,20,21,22)