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

Systemtic Name: 4-[(4-chloranyl-6-methoxy-1,3,5-triazin-2-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(4-chloro-6-methoxy-s-triazin-2-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C14H11ClN4O8S2 MolecularWeight: 462.84214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)Cl

Isomeric SMILES

COC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)Cl

InChI

InChI=1S/C14H11ClN4O8S2/c1-27-14-18-12(15)17-13(19-14)16-9-4-7(28(21,22)23)2-6-3-8(29(24,25)26)5-10(20)11(6)9/h2-5,20H,1H3,(H,21,22,23)(H,24,25,26)(H,16,17,18,19)