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

Systemtic Name: 2-[(4-chloranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 2-[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 2-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 2-[(4-chloro-6-morpholino-s-triazin-2-yl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C17H16ClN5O8S2 MolecularWeight: 517.92064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)Cl)NC3=C(C4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)Cl)NC3=C(C4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H16ClN5O8S2/c18-15-20-16(22-17(21-15)23-3-5-31-6-4-23)19-12-2-1-10-11(14(12)33(28,29)30)7-9(8-13(10)24)32(25,26)27/h1-2,7-8,24H,3-6H2,(H,25,26,27)(H,28,29,30)(H,19,20,21,22)