4-oxidanyl-6-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-6-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-6-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-6-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-6-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2-sulfonic acid Formula: C14H8Cl3N3O4S MolecularWeight: 420.65502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC3=C(C(=NC(=N3)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC3=C(C(=NC(=N3)Cl)Cl)Cl

InChI

InChI=1S/C14H8Cl3N3O4S/c15-11-12(16)19-14(17)20-13(11)18-7-2-1-6-3-8(25(22,23)24)5-10(21)9(6)4-7/h1-5,21H,(H,18,19,20)(H,22,23,24)