trisodium 2-[[4-[(4-azanyl-2,5-dimethoxy-phenyl)diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate

Systemtic Name: trisodium 2-[[4-[(4-azanyl-2,5-dimethoxy-phenyl)diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate Openeye Name: trisodium 2-[[4-(4-amino-2,5-dimethoxy-phenyl)azo-6-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonate CAS Name: trisodium 2-[[4-(4-amino-2,5-dimethoxyphenyl)azo-6-sulfonato-1-naphthalenyl]azo]benzene-1,4-disulfonate IUPAC Name: trisodium 2-[[4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate Traditional Name: trisodium 2-[[4-(4-amino-2,5-dimethoxy-phenyl)azo-6-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonate Formula: C24H18N5Na3O11S3 MolecularWeight: 717.59093

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H21N5O11S3.3Na/c1-39-22-12-20(23(40-2)11-17(22)25)28-27-19-7-6-18(15-5-3-13(9-16(15)19)41(30,31)32)26-29-21-10-14(42(33,34)35)4-8-24(21)43(36,37)38;;;/h3-12H,25H2,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3