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

Systemtic Name: [6-azanyl-4,5-bis(bromanyl)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide Openeye Name: [6-amino-4,5-dibromo-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]ammonium bromide CAS Name: [6-amino-4,5-dibromo-9-(2-ethoxycarbonylphenyl)-3-xanthenylidene]ammonium bromide IUPAC Name: [6-amino-4,5-dibromo-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide Traditional Name: [6-amino-4,5-dibromo-9-(2-carbethoxyphenyl)xanthen-3-ylidene]ammonium bromide Formula: C22H17Br3N2O3 MolecularWeight: 597.09398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16Br2N2O3.BrH/c1-2-28-22(27)12-6-4-3-5-11(12)17-13-7-9-15(25)18(23)20(13)29-21-14(17)8-10-16(26)19(21)24;/h3-10,25H,2,26H2,1H3;1H