disodium 4-[[4-[(4-carboxyphenyl)amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[[4-[(4-carboxyphenyl)amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: disodium 4-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: disodium 4-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-[[4-(4-carboxyanilino)-6-chloro-s-triazin-2-yl]amino]-5-hydroxy-naphthalene-2,7-disulfonate Formula: C20H12ClN5Na2O9S2 MolecularWeight: 611.89992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H14ClN5O9S2.2Na/c21-18-24-19(22-11-3-1-9(2-4-11)17(28)29)26-20(25-18)23-14-7-12(36(30,31)32)5-10-6-13(37(33,34)35)8-15(27)16(10)14;;/h1-8,27H,(H,28,29)(H,30,31,32)(H,33,34,35)(H2,22,23,24,25,26);;/q;2*+1/p-2