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

Systemtic Name: 4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(4-amino-6-chloro-s-triazin-2-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C13H10ClN5O7S2 MolecularWeight: 447.8308

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC3=NC(=NC(=N3)N)Cl)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC3=NC(=NC(=N3)N)Cl)O)S(=O)(=O)O

InChI

InChI=1S/C13H10ClN5O7S2/c14-11-17-12(15)19-13(18-11)16-8-3-6(27(21,22)23)1-5-2-7(28(24,25)26)4-9(20)10(5)8/h1-4,20H,(H,21,22,23)(H,24,25,26)(H3,15,16,17,18,19)