(3Z)-4-oxidanylidene-3-[[2-sulfo-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]hydrazinylidene]naphthalene-1,7-disulfonic acid

Systemtic Name: (3Z)-4-oxidanylidene-3-[[2-sulfo-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]hydrazinylidene]naphthalene-1,7-disulfonic acid Openeye Name: (3Z)-4-oxo-3-[[2-sulfo-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]hydrazono]naphthalene-1,7-disulfonic acid CAS Name: (3Z)-4-oxo-3-[[2-sulfo-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]hydrazinylidene]naphthalene-1,7-disulfonic acid IUPAC Name: (3Z)-4-oxo-3-[[2-sulfo-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]hydrazinylidene]naphthalene-1,7-disulfonic acid Traditional Name: (3Z)-4-keto-3-[[2-sulfo-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]hydrazono]naphthalene-1,7-disulfonic acid Formula: C20H12Cl3N5O10S3 MolecularWeight: 684.89078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)NN=C3C=C(C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)N/N=C\3/C=C(C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H12Cl3N5O10S3/c21-16-18(22)25-20(23)26-19(16)24-8-1-4-14(40(33,34)35)12(5-8)27-28-13-7-15(41(36,37)38)11-6-9(39(30,31)32)2-3-10(11)17(13)29/h1-7,27H,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38)/b28-13-