methyl 2-[3,6-bis(azanyl)-2,5-bis(iodanyl)-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3,6-bis(azanyl)-2,5-bis(iodanyl)-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoate CAS Name: 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoate Traditional Name: 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoic acid methyl ester Formula: C21H16I2N2O3 MolecularWeight: 598.17228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2C3=C(C(=C(C=C3)N)I)OC4=CC(=C(C=C24)I)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2C3=C(C(=C(C=C3)N)I)OC4=CC(=C(C=C24)I)N

InChI

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