sodium N-[4-(1,3-benzothiazol-2-yl)-3-iodanyl-phenyl]sulfamate

Systemtic Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-iodanyl-phenyl]sulfamate Openeye Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-iodo-phenyl]sulfamate CAS Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-iodophenyl]sulfamate IUPAC Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-iodophenyl]sulfamate Traditional Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-iodo-phenyl]sulfamate Formula: C13H8IN2NaO3S2 MolecularWeight: 454.23846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NS(=O)(=O)[O-])I.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NS(=O)(=O)[O-])I.[Na+]

InChI

InChI=1S/C13H9IN2O3S2.Na/c14-10-7-8(16-21(17,18)19)5-6-9(10)13-15-11-3-1-2-4-12(11)20-13;/h1-7,16H,(H,17,18,19);/q;+1/p-1