7-iodanyl-8-(phenylcarbamothioyloxy)quinoline-5-sulfonic acid

Systemtic Name: 7-iodanyl-8-(phenylcarbamothioyloxy)quinoline-5-sulfonic acid Openeye Name: 7-iodo-8-(phenylcarbamothioyloxy)quinoline-5-sulfonic acid CAS Name: 8-[anilino(sulfanylidene)methoxy]-7-iodo-5-quinolinesulfonic acid IUPAC Name: 7-iodo-8-(phenylcarbamothioyloxy)quinoline-5-sulfonic acid Traditional Name: 7-iodo-8-(phenylthiocarbamoyloxy)quinoline-5-sulfonic acid Formula: C16H11IN2O4S2 MolecularWeight: 486.30401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)OC2=C(C=C(C3=C2N=CC=C3)S(=O)(=O)O)I

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)OC2=C(C=C(C3=C2N=CC=C3)S(=O)(=O)O)I

InChI

InChI=1S/C16H11IN2O4S2/c17-12-9-13(25(20,21)22)11-7-4-8-18-14(11)15(12)23-16(24)19-10-5-2-1-3-6-10/h1-9H,(H,19,24)(H,20,21,22)