3-(2-phosphonoethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-(2-phosphonoethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-(2-phosphonoethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-(2-phosphonoethylsulfonyl)-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-(2-phosphonoethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 3-(2-phosphonoethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid Formula: C8H13O8PS2 MolecularWeight: 332.287781

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)S(=O)(=O)CCP(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1CC(=CC(=C1)S(=O)(=O)CCP(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C8H13O8PS2/c9-17(10,11)4-5-18(12,13)7-2-1-3-8(6-7)19(14,15)16/h2,6H,1,3-5H2,(H2,9,10,11)(H,14,15,16)