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

Systemtic Name: 4-[(6-chloranyl-2-methoxy-2H-1,3,5-triazin-1-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(6-chloro-2-methoxy-2H-1,3,5-triazin-1-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[(6-chloro-2-methoxy-2H-1,3,5-triazin-1-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(6-chloro-2-methoxy-2H-1,3,5-triazin-1-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(6-chloro-2-methoxy-2H-s-triazin-1-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C14H13ClN4O8S2 MolecularWeight: 464.85802

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Descriptors Computed from Structure

Canonical SMILES:

COC1N=CN=C(N1NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)Cl

Isomeric SMILES

COC1N=CN=C(N1NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)Cl

InChI

InChI=1S/C14H13ClN4O8S2/c1-27-14-17-6-16-13(15)19(14)18-10-4-8(28(21,22)23)2-7-3-9(29(24,25)26)5-11(20)12(7)10/h2-6,14,18,20H,1H3,(H,21,22,23)(H,24,25,26)