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

Systemtic Name: 3-iodanyl-5-(phenylmethyl)benzoic acid; (sulfinoamino)ethane Openeye Name: 3-benzyl-5-iodo-benzoic acid; (sulfinoamino)ethane CAS Name: 3-iodo-5-(phenylmethyl)benzoic acid; (sulfinoamino)ethane IUPAC Name: 3-benzyl-5-iodobenzoic acid; (sulfinoamino)ethane Traditional Name: 3-benzyl-5-iodo-benzoic acid; (sulfinoamino)ethane Formula: C16H18INO4S MolecularWeight: 447.28789

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.C1=CC=C(C=C1)CC2=CC(=CC(=C2)C(=O)O)I

Isomeric SMILES

CCNS(=O)O.C1=CC=C(C=C1)CC2=CC(=CC(=C2)C(=O)O)I

InChI

InChI=1S/C14H11IO2.C2H7NO2S/c15-13-8-11(7-12(9-13)14(16)17)6-10-4-2-1-3-5-10;1-2-3-6(4)5/h1-5,7-9H,6H2,(H,16,17);3H,2H2,1H3,(H,4,5)