trisodium 7-[[4-[[2-methyl-4-(sulfonatomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: trisodium 7-[[4-[[2-methyl-4-(sulfonatomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: trisodium 7-[4-[2-methyl-4-(sulfonatomethylamino)phenyl]azophenyl]azonaphthalene-1,3-disulfonate CAS Name: trisodium 7-[4-[2-methyl-4-(sulfonatomethylamino)phenyl]azophenyl]azonaphthalene-1,3-disulfonate IUPAC Name: trisodium 7-[[4-[[2-methyl-4-(sulfonatomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: trisodium 7-[4-[2-methyl-4-(sulfonatomethylamino)phenyl]azophenyl]azonaphthalene-1,3-disulfonate Formula: C24H18N5Na3O9S3 MolecularWeight: 685.59213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H21N5O9S3.3Na/c1-15-10-19(25-14-39(30,31)32)8-9-23(15)29-27-18-6-4-17(5-7-18)26-28-20-3-2-16-11-21(40(33,34)35)13-24(22(16)12-20)41(36,37)38;;;/h2-13,25H,14H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3