iodanylmethane; pyridin-2-ylmethyl 9H-xanthene-9-carboxylate

Systemtic Name: iodanylmethane; pyridin-2-ylmethyl 9H-xanthene-9-carboxylate Openeye Name: iodomethane; 2-pyridylmethyl 9H-xanthene-9-carboxylate CAS Name: iodomethane; 9H-xanthene-9-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: iodomethane; pyridin-2-ylmethyl 9H-xanthene-9-carboxylate Traditional Name: iodomethane; 9H-xanthene-9-carboxylic acid 2-pyridylmethyl ester Formula: C21H18INO3 MolecularWeight: 459.27699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CI.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

CI.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C20H15NO3.CH3I/c22-20(23-13-14-7-5-6-12-21-14)19-15-8-1-3-10-17(15)24-18-11-4-2-9-16(18)19;1-2/h1-12,19H,13H2;1H3