2-azanyl-3-[[3,5-bis(iodanyl)-4-methoxy-phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[3,5-bis(iodanyl)-4-methoxy-phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3,5-diiodo-4-methoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3,5-diiodo-4-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3,5-diiodo-4-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3,5-diiodo-4-methoxy-benzyl)thio]propionic acid Formula: C11H13I2NO3S MolecularWeight: 493.09976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1I)CSCC(C(=O)O)N)I

Isomeric SMILES

COC1=C(C=C(C=C1I)CSCC(C(=O)O)N)I

InChI

InChI=1S/C11H13I2NO3S/c1-17-10-7(12)2-6(3-8(10)13)4-18-5-9(14)11(15)16/h2-3,9H,4-5,14H2,1H3,(H,15,16)