disodium; 2-[[6-[(4-chloranyl-6-methoxy-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-chloranyl-6-methoxy-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-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonato-2-naphthyl]azo]benzoate; hydron CAS Name: disodium; 2-[[6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonato-2-naphthalenyl]azo]benzoate; chromium(3+); hydron IUPAC Name: disodium; 2-[[6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-1-oxido-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate; chromium(3+); hydron Traditional Name: chromic; disodium; 2-[[6-[(4-chloro-6-methoxy-s-triazin-2-yl)amino]-1-oxido-3-sulfonato-2-naphthyl]azo]benzoate; hydron Formula: C42H25Cl2CrN12Na2O14S2 MolecularWeight: 1154.73154

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Descriptors Computed from Structure

Canonical SMILES:

[H+].COC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])Cl.COC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Cr+3]

Isomeric SMILES

[H+].COC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])Cl.COC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C21H15ClN6O7S.Cr.2Na/c2*1-35-21-25-19(22)24-20(26-21)23-11-6-7-12-10(8-11)9-15(36(32,33)34)16(17(12)29)28-27-14-5-3-2-4-13(14)18(30)31;;;/h2*2-9,29H,1H3,(H,30,31)(H,32,33,34)(H,23,24,25,26);;;/q;;+3;2*+1/p-5