tetrasodium 3-[[4-[[4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-5-sulfonato-naphthalen-1-yl]diazenyl]-7-sulfonato-naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: tetrasodium 3-[[4-[[4-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-5-sulfonato-naphthalen-1-yl]diazenyl]-7-sulfonato-naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]naphthalene-1,5-disulfonate CAS Name: tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthalenyl]azo]-7-sulfonato-1-naphthalenyl]azo]naphthalene-1,5-disulfonate IUPAC Name: tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-s-triazin-2-yl)amino]-5-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]naphthalene-1,5-disulfonate Formula: C33H18ClN9Na4O12S4 MolecularWeight: 988.2212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N)Cl)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC(=C7C=CC=C(C7=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N)Cl)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC(=C7C=CC=C(C7=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C33H22ClN9O12S4.4Na/c34-31-37-32(35)39-33(38-31)36-26-12-11-24(20-4-2-6-28(30(20)26)58(50,51)52)43-42-23-9-10-25(21-15-17(56(44,45)46)7-8-18(21)23)41-40-16-13-22-19(29(14-16)59(53,54)55)3-1-5-27(22)57(47,48)49;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4