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

Systemtic Name: 2-[[3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]-(4-iodophenyl)methyl]thiophene-3-carboxylic acid Openeye Name: 2-[(3,5-dioxopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]thiophene-3-carboxylic acid CAS Name: 2-[(3,5-dioxo-4-pyrazolidinylidene)-(4-iodophenyl)methyl]-3-thiophenecarboxylic acid IUPAC Name: 2-[(3,5-dioxopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]thiophene-3-carboxylic acid Traditional Name: 2-[(3,5-diketopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]-3-thenoic acid Formula: C15H9IN2O4S MolecularWeight: 440.21243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=C2C(=O)NNC2=O)C3=C(C=CS3)C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1C(=C2C(=O)NNC2=O)C3=C(C=CS3)C(=O)O)I

InChI

InChI=1S/C15H9IN2O4S/c16-8-3-1-7(2-4-8)10(11-13(19)17-18-14(11)20)12-9(15(21)22)5-6-23-12/h1-6H,(H,17,19)(H,18,20)(H,21,22)