disodium; 2-[[6-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-1-oxidanidyl-3-sulfonato-naphthalen-2-yl]diazenyl]benzoate; chromium(3+); hydron

Systemtic Name: disodium; 2-[[6-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-1-oxidanidyl-3-sulfonato-naphthalen-2-yl]diazenyl]benzoate; chromium(3+); hydron Openeye Name: chromic; disodium; 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonato-2-naphthyl]azo]benzoate; hydron CAS Name: disodium; chromium(3+); 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonato-2-naphthalenyl]azo]benzoate; hydron IUPAC Name: disodium; chromium(3+); 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate; hydron Traditional Name: chromic; disodium; 2-[[6-[(4,6-dichloro-s-triazin-2-yl)amino]-1-oxido-3-sulfonato-2-naphthyl]azo]benzoate; hydron Formula: C40H19Cl4CrN12Na2O12S2 MolecularWeight: 1163.5697

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Descriptors Computed from Structure

Canonical SMILES:

[H+].C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Cr+3]

Isomeric SMILES

[H+].C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C20H12Cl2N6O6S.Cr.2Na/c2*21-18-24-19(22)26-20(25-18)23-10-5-6-11-9(7-10)8-14(35(32,33)34)15(16(11)29)28-27-13-4-2-1-3-12(13)17(30)31;;;/h2*1-8,29H,(H,30,31)(H,32,33,34)(H,23,24,25,26);;;/q;;+3;2*+1/p-5