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

Systemtic Name: [6-azanyl-2-iodanyl-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride Openeye Name: [6-amino-2-iodo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]ammonium chloride CAS Name: [6-amino-2-iodo-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium chloride IUPAC Name: [6-amino-2-iodo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride Traditional Name: [6-amino-9-(2-carbomethoxyphenyl)-2-iodo-xanthen-3-ylidene]ammonium chloride Formula: C21H16ClIN2O3 MolecularWeight: 506.72081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C=C3OC4=C2C=CC(=C4)N)I.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C=C3OC4=C2C=CC(=C4)N)I.[Cl-]

InChI

InChI=1S/C21H15IN2O3.ClH/c1-26-21(25)13-5-3-2-4-12(13)20-14-7-6-11(23)8-18(14)27-19-10-17(24)16(22)9-15(19)20;/h2-10,24H,23H2,1H3;1H