3-iodanyl-5-phenylmethoxy-1H-indole-2-carboxylic acid

Systemtic Name: 3-iodanyl-5-phenylmethoxy-1H-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-3-iodo-1H-indole-2-carboxylic acid CAS Name: 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylic acid IUPAC Name: 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylic acid Traditional Name: 5-benzoxy-3-iodo-1H-indole-2-carboxylic acid Formula: C16H12INO3 MolecularWeight: 393.17585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3I)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3I)C(=O)O

InChI

InChI=1S/C16H12INO3/c17-14-12-8-11(21-9-10-4-2-1-3-5-10)6-7-13(12)18-15(14)16(19)20/h1-8,18H,9H2,(H,19,20)