[6-azanyl-4,5-bis(bromanyl)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide

Systemtic Name: [6-azanyl-4,5-bis(bromanyl)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide Openeye Name: [6-amino-4,5-dibromo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]ammonium bromide CAS Name: [6-amino-4,5-dibromo-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium bromide IUPAC Name: [6-amino-4,5-dibromo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide Traditional Name: [6-amino-4,5-dibromo-9-(2-carbomethoxyphenyl)xanthen-3-ylidene]ammonium bromide Formula: C21H15Br3N2O3 MolecularWeight: 583.0674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C(=C3OC4=C2C=CC(=C4Br)N)Br.[Br-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C(=C3OC4=C2C=CC(=C4Br)N)Br.[Br-]

InChI

InChI=1S/C21H14Br2N2O3.BrH/c1-27-21(26)11-5-3-2-4-10(11)16-12-6-8-14(24)17(22)19(12)28-20-13(16)7-9-15(25)18(20)23;/h2-9,24H,25H2,1H3;1H