5-[[3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]-(4-iodophenyl)methyl]furan-2-sulfonic acid

Systemtic Name: 5-[[3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]-(4-iodophenyl)methyl]furan-2-sulfonic acid Openeye Name: 5-[(3,5-dioxopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]furan-2-sulfonic acid CAS Name: 5-[(3,5-dioxo-4-pyrazolidinylidene)-(4-iodophenyl)methyl]-2-furansulfonic acid IUPAC Name: 5-[(3,5-dioxopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]furan-2-sulfonic acid Traditional Name: 5-[(3,5-diketopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]furan-2-sulfonic acid Formula: C14H9IN2O6S MolecularWeight: 460.20053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=C2C(=O)NNC2=O)C3=CC=C(O3)S(=O)(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1C(=C2C(=O)NNC2=O)C3=CC=C(O3)S(=O)(=O)O)I

InChI

InChI=1S/C14H9IN2O6S/c15-8-3-1-7(2-4-8)11(12-13(18)16-17-14(12)19)9-5-6-10(23-9)24(20,21)22/h1-6H,(H,16,18)(H,17,19)(H,20,21,22)