disodium; 1-azanylthiourea; 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate

Systemtic Name: disodium; 1-azanylthiourea; 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: disodium; aminothiourea; 2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-xanthen-9-yl)benzoate CAS Name: disodium; aminothiourea; 2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-9-xanthenyl)benzoate IUPAC Name: disodium; aminothiourea; 2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate Traditional Name: disodium; aminothiourea; 2-(2,4,5,7-tetrabromo-3-keto-6-oxido-xanthen-9-yl)benzoate Formula: C21H11Br4N3Na2O5S MolecularWeight: 782.98968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].C(=S)(N)NN.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].C(=S)(N)NN.[Na+].[Na+]

InChI

InChI=1S/C20H8Br4O5.CH5N3S.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;2-1(5)4-3;;/h1-6,25H,(H,27,28);3H2,(H3,2,4,5);;/q;;2*+1/p-2