(2-bromophenyl)-[8-(2,4-disulfophenyl)xanthen-1-ylidene]azanium

Systemtic Name: (2-bromophenyl)-[8-(2,4-disulfophenyl)xanthen-1-ylidene]azanium Openeye Name: (2-bromophenyl)-[8-(2,4-disulfophenyl)xanthen-1-ylidene]ammonium CAS Name: (2-bromophenyl)-[8-(2,4-disulfophenyl)-1-xanthenylidene]ammonium IUPAC Name: (2-bromophenyl)-[8-(2,4-disulfophenyl)xanthen-1-ylidene]azanium Traditional Name: (2-bromophenyl)-[8-(2,4-disulfophenyl)xanthen-1-ylidene]ammonium Formula: C25H17BrNO7S2+ MolecularWeight: 587.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[NH+]=C2C=CC=C3C2=CC4=C(C=CC=C4O3)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)[NH+]=C2C=CC=C3C2=CC4=C(C=CC=C4O3)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)Br

InChI

InChI=1S/C25H16BrNO7S2/c26-20-6-1-2-7-22(20)27-21-8-4-10-24-19(21)14-18-16(5-3-9-23(18)34-24)17-12-11-15(35(28,29)30)13-25(17)36(31,32)33/h1-14H,(H,28,29,30)(H,31,32,33)/p+1