1-azanyl-9,10-bis(oxidanylidene)-4-[[3-sulfo-4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]amino]anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-sulfo-4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[3-sulfo-4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[3-sulfo-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]anilino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[3-sulfo-4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[3-sulfo-4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]anthracene-2-sulfonic acid Formula: C24H14Cl3N5O8S2 MolecularWeight: 670.88566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=C(C(=NC(=N5)Cl)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=C(C(=NC(=N5)Cl)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C24H14Cl3N5O8S2/c25-18-22(26)31-24(27)32-23(18)30-12-6-5-9(7-14(12)41(35,36)37)29-13-8-15(42(38,39)40)19(28)17-16(13)20(33)10-3-1-2-4-11(10)21(17)34/h1-8,29H,28H2,(H,30,31,32)(H,35,36,37)(H,38,39,40)