3-iodanylbenzoic acid; (sulfinoamino)benzene

Systemtic Name: 3-iodanylbenzoic acid; (sulfinoamino)benzene Openeye Name: 3-iodobenzoic acid; (sulfinoamino)benzene CAS Name: 3-iodobenzoic acid; (sulfinoamino)benzene IUPAC Name: 3-iodobenzoic acid; (sulfinoamino)benzene Traditional Name: 3-iodobenzoic acid; (sulfinoamino)benzene Formula: C13H12INO4S MolecularWeight: 405.20815

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)O.C1=CC(=CC(=C1)I)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)O.C1=CC(=CC(=C1)I)C(=O)O

InChI

InChI=1S/C7H5IO2.C6H7NO2S/c8-6-3-1-2-5(4-6)7(9)10;8-10(9)7-6-4-2-1-3-5-6/h1-4H,(H,9,10);1-5,7H,(H,8,9)