disodium 3-[[2-acetamido-4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: disodium 3-[[2-acetamido-4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: disodium 3-[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azonaphthalene-1,5-disulfonate CAS Name: disodium 3-[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azonaphthalene-1,5-disulfonate IUPAC Name: disodium 3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: disodium 3-[2-acetamido-4-[(4-amino-6-chloro-s-triazin-2-yl)amino]phenyl]azonaphthalene-1,5-disulfonate Formula: C21H15ClN8Na2O7S2 MolecularWeight: 636.95574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H17ClN8O7S2.2Na/c1-10(31)24-16-8-11(25-21-27-19(22)26-20(23)28-21)5-6-15(16)30-29-12-7-14-13(18(9-12)39(35,36)37)3-2-4-17(14)38(32,33)34;;/h2-9H,1H3,(H,24,31)(H,32,33,34)(H,35,36,37)(H3,23,25,26,27,28);;/q;2*+1/p-2