disodium 3-[[4-[(6-chloranyl-4-oxidanylidene-1H-1,3,5-triazin-2-yl)amino]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: disodium 3-[[4-[(6-chloranyl-4-oxidanylidene-1H-1,3,5-triazin-2-yl)amino]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: disodium 3-[[4-[(6-chloro-4-oxo-1H-1,3,5-triazin-2-yl)amino]-1-naphthyl]azo]naphthalene-1,5-disulfonate CAS Name: disodium 3-[[4-[(6-chloro-4-oxo-1H-1,3,5-triazin-2-yl)amino]-1-naphthalenyl]azo]naphthalene-1,5-disulfonate IUPAC Name: disodium 3-[[4-[(6-chloro-4-oxo-1H-1,3,5-triazin-2-yl)amino]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: disodium 3-[[4-[(6-chloro-4-keto-1H-s-triazin-2-yl)amino]-1-naphthyl]azo]naphthalene-1,5-disulfonate Formula: C23H13ClN6Na2O7S2 MolecularWeight: 630.94786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=O)N=C(N5)Cl.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=O)N=C(N5)Cl.[Na+].[Na+]

InChI

InChI=1S/C23H15ClN6O7S2.2Na/c24-21-26-22(28-23(31)27-21)25-17-8-9-18(14-5-2-1-4-13(14)17)30-29-12-10-16-15(20(11-12)39(35,36)37)6-3-7-19(16)38(32,33)34;;/h1-11H,(H,32,33,34)(H,35,36,37)(H2,25,26,27,28,31);;/q;2*+1/p-2