4-[(4-chloranyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(4-chloranyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(4-chloro-6-phenoxy-s-triazin-2-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C19H13ClN4O8S2 MolecularWeight: 524.91152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)Cl

InChI

InChI=1S/C19H13ClN4O8S2/c20-17-22-18(24-19(23-17)32-11-4-2-1-3-5-11)21-14-8-12(33(26,27)28)6-10-7-13(34(29,30)31)9-15(25)16(10)14/h1-9,25H,(H,26,27,28)(H,29,30,31)(H,21,22,23,24)