iodanylmethane; pyridin-3-ylmethyl 9H-xanthene-9-carboxylate

Systemtic Name: iodanylmethane; pyridin-3-ylmethyl 9H-xanthene-9-carboxylate Openeye Name: iodomethane; 3-pyridylmethyl 9H-xanthene-9-carboxylate CAS Name: iodomethane; 9H-xanthene-9-carboxylic acid 3-pyridinylmethyl ester IUPAC Name: iodomethane; pyridin-3-ylmethyl 9H-xanthene-9-carboxylate Traditional Name: iodomethane; 9H-xanthene-9-carboxylic acid 3-pyridylmethyl ester Formula: C21H18INO3 MolecularWeight: 459.27699

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Descriptors Computed from Structure

Canonical SMILES:

CI.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

CI.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CN=CC=C4

InChI

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