[6-azanyl-2,4,5,7-tetrakis(bromanyl)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium

Systemtic Name: [6-azanyl-2,4,5,7-tetrakis(bromanyl)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium Openeye Name: [6-amino-2,4,5,7-tetrabromo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]ammonium CAS Name: [6-amino-2,4,5,7-tetrabromo-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium IUPAC Name: [6-amino-2,4,5,7-tetrabromo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium Traditional Name: [6-amino-2,4,5,7-tetrabromo-9-(2-carbomethoxyphenyl)xanthen-3-ylidene]ammonium Formula: C21H13Br4N2O3+ MolecularWeight: 660.95552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C(=C3OC4=C(C(=C(C=C24)Br)N)Br)Br)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C(=C3OC4=C(C(=C(C=C24)Br)N)Br)Br)Br

InChI

InChI=1S/C21H12Br4N2O3/c1-29-21(28)9-5-3-2-4-8(9)14-10-6-12(22)17(26)15(24)19(10)30-20-11(14)7-13(23)18(27)16(20)25/h2-7,26H,27H2,1H3/p+1