3-[[(5-cyano-2-iodanyl-phenyl)amino]methoxy]benzenesulfonic acid

Systemtic Name: 3-[[(5-cyano-2-iodanyl-phenyl)amino]methoxy]benzenesulfonic acid Openeye Name: 3-[(5-cyano-2-iodo-anilino)methoxy]benzenesulfonic acid CAS Name: 3-[(5-cyano-2-iodoanilino)methoxy]benzenesulfonic acid IUPAC Name: 3-[(5-cyano-2-iodoanilino)methoxy]benzenesulfonic acid Traditional Name: 3-[(5-cyano-2-iodo-anilino)methoxy]besylic acid Formula: C14H11IN2O4S MolecularWeight: 430.21761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)OCNC2=C(C=CC(=C2)C#N)I

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)OCNC2=C(C=CC(=C2)C#N)I

InChI

InChI=1S/C14H11IN2O4S/c15-13-5-4-10(8-16)6-14(13)17-9-21-11-2-1-3-12(7-11)22(18,19)20/h1-7,17H,9H2,(H,18,19,20)