trisodium 2-[[4-[[4-[(4-azanyl-7-sulfonato-naphthalen-1-yl)diazenyl]-7-sulfonato-naphthalen-1-yl]diazenyl]phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: trisodium 2-[[4-[[4-[(4-azanyl-7-sulfonato-naphthalen-1-yl)diazenyl]-7-sulfonato-naphthalen-1-yl]diazenyl]phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: trisodium 2-[4-[[4-[(4-amino-7-sulfonato-1-naphthyl)azo]-7-sulfonato-1-naphthyl]azo]anilino]-2-oxo-acetate CAS Name: trisodium 2-[4-[[4-[(4-amino-7-sulfonato-1-naphthalenyl)azo]-7-sulfonato-1-naphthalenyl]azo]anilino]-2-oxoacetate IUPAC Name: trisodium 2-[4-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]anilino]-2-oxoacetate Traditional Name: trisodium 2-[4-[[4-[(4-amino-7-sulfonato-1-naphthyl)azo]-7-sulfonato-1-naphthyl]azo]anilino]-2-keto-acetate Formula: C28H17N6Na3O9S2 MolecularWeight: 714.56869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=O)[O-])N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(=O)[O-])N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H20N6O9S2.3Na/c29-23-9-10-25(21-13-17(44(38,39)40)5-7-19(21)23)34-33-24-11-12-26(22-14-18(45(41,42)43)6-8-20(22)24)32-31-16-3-1-15(2-4-16)30-27(35)28(36)37;;;/h1-14H,29H2,(H,30,35)(H,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3