trisodium 7-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: trisodium 7-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: trisodium 7-[4-[[2-methoxy-4-(3-sulfonatophenyl)azo-phenyl]carbamoylamino]phenyl]azonaphthalene-1,3-disulfonate CAS Name: trisodium 7-[4-[[[2-methoxy-4-(3-sulfonatophenyl)azoanilino]-oxomethyl]amino]phenyl]azonaphthalene-1,3-disulfonate IUPAC Name: trisodium 7-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: trisodium 7-[4-[[2-methoxy-4-(3-sulfonatophenyl)azo-phenyl]carbamoylamino]phenyl]azonaphthalene-1,3-disulfonate Formula: C30H21N6Na3O11S3 MolecularWeight: 806.68565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])NC(=O)NC3=CC=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])NC(=O)NC3=CC=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H24N6O11S3.3Na/c1-47-28-16-23(36-34-21-3-2-4-24(14-21)48(38,39)40)11-12-27(28)32-30(37)31-19-7-9-20(10-8-19)33-35-22-6-5-18-13-25(49(41,42)43)17-29(26(18)15-22)50(44,45)46;;;/h2-17H,1H3,(H2,31,32,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3