1-(3-iodanylphenoxy)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(3-iodanylphenoxy)isoquinoline-3-carboxylic acid Openeye Name: 1-(3-iodophenoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(3-iodophenoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-iodophenoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-(3-iodophenoxy)isoquinoline-3-carboxylic acid Formula: C16H10INO3 MolecularWeight: 391.15997

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2OC3=CC(=CC=C3)I)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2OC3=CC(=CC=C3)I)C(=O)O

InChI

InChI=1S/C16H10INO3/c17-11-5-3-6-12(9-11)21-15-13-7-2-1-4-10(13)8-14(18-15)16(19)20/h1-9H,(H,19,20)