methyl 2-[3,6-bis(azanyl)-2,7-bis(iodanyl)-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3,6-bis(azanyl)-2,7-bis(iodanyl)-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-(3,6-diamino-2,7-diiodo-9H-xanthen-9-yl)benzoate CAS Name: 2-(3,6-diamino-2,7-diiodo-9H-xanthen-9-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(3,6-diamino-2,7-diiodo-9H-xanthen-9-yl)benzoate Traditional Name: 2-(3,6-diamino-2,7-diiodo-9H-xanthen-9-yl)benzoic acid methyl ester Formula: C21H16I2N2O3 MolecularWeight: 598.17228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2C3=CC(=C(C=C3OC4=CC(=C(C=C24)I)N)N)I

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2C3=CC(=C(C=C3OC4=CC(=C(C=C24)I)N)N)I

InChI

InChI=1S/C21H16I2N2O3/c1-27-21(26)11-5-3-2-4-10(11)20-12-6-14(22)16(24)8-18(12)28-19-9-17(25)15(23)7-13(19)20/h2-9,20H,24-25H2,1H3