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

Systemtic Name: [6-azanyl-4,5-bis(bromanyl)-9-(2-butoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide Openeye Name: [6-amino-4,5-dibromo-9-(2-butoxycarbonylphenyl)xanthen-3-ylidene]ammonium bromide CAS Name: [6-amino-4,5-dibromo-9-[2-[butoxy(oxo)methyl]phenyl]-3-xanthenylidene]ammonium bromide IUPAC Name: [6-amino-4,5-dibromo-9-(2-butoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide Traditional Name: [6-amino-4,5-dibromo-9-(2-butoxycarbonylphenyl)xanthen-3-ylidene]ammonium bromide Formula: C24H21Br3N2O3 MolecularWeight: 625.14714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20Br2N2O3.BrH/c1-2-3-12-30-24(29)14-7-5-4-6-13(14)19-15-8-10-17(27)20(25)22(15)31-23-16(19)9-11-18(28)21(23)26;/h4-11,27H,2-3,12,28H2,1H3;1H