3-iodanyl-5-phenyl-benzoic acid; (sulfinoamino)ethane

Systemtic Name: 3-iodanyl-5-phenyl-benzoic acid; (sulfinoamino)ethane Openeye Name: 3-iodo-5-phenyl-benzoic acid; (sulfinoamino)ethane CAS Name: 3-iodo-5-phenylbenzoic acid; (sulfinoamino)ethane IUPAC Name: 3-iodo-5-phenylbenzoic acid; (sulfinoamino)ethane Traditional Name: 3-iodo-5-phenyl-benzoic acid; (sulfinoamino)ethane Formula: C15H16INO4S MolecularWeight: 433.26131

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.C1=CC=C(C=C1)C2=CC(=CC(=C2)I)C(=O)O

Isomeric SMILES

CCNS(=O)O.C1=CC=C(C=C1)C2=CC(=CC(=C2)I)C(=O)O

InChI

InChI=1S/C13H9IO2.C2H7NO2S/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9;1-2-3-6(4)5/h1-8H,(H,15,16);3H,2H2,1H3,(H,4,5)