[6-azanyl-2,7-bis(iodanyl)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride

Systemtic Name: [6-azanyl-2,7-bis(iodanyl)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride Openeye Name: [6-amino-2,7-diiodo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]ammonium chloride CAS Name: [6-amino-2,7-diiodo-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium chloride IUPAC Name: [6-amino-2,7-diiodo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride Traditional Name: [6-amino-9-(2-carbomethoxyphenyl)-2,7-diiodo-xanthen-3-ylidene]ammonium chloride Formula: C21H15ClI2N2O3 MolecularWeight: 632.61734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C=C3OC4=CC(=C(C=C42)I)N)I.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C=C3OC4=CC(=C(C=C42)I)N)I.[Cl-]

InChI

InChI=1S/C21H14I2N2O3.ClH/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;/h2-9,24H,25H2,1H3;1H