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

Systemtic Name: 3-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]naphthalene-1,5-disulfonic acid Openeye Name: 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]naphthalene-1,5-disulfonic acid CAS Name: 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]naphthalene-1,5-disulfonic acid Traditional Name: 3-[(4,6-dichloro-s-triazin-2-yl)amino]naphthalene-1,5-disulfonic acid Formula: C13H8Cl2N4O6S2 MolecularWeight: 451.26182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)O

InChI

InChI=1S/C13H8Cl2N4O6S2/c14-11-17-12(15)19-13(18-11)16-6-4-8-7(10(5-6)27(23,24)25)2-1-3-9(8)26(20,21)22/h1-5H,(H,20,21,22)(H,23,24,25)(H,16,17,18,19)