5-(5-methyl-1,3-benzothiazol-2-yl)-2-[[4-(5-methyl-1,3-benzothiazol-2-yl)-2-sulfonato-phenyl]diazenyl]benzenesulfonate

Systemtic Name: 5-(5-methyl-1,3-benzothiazol-2-yl)-2-[[4-(5-methyl-1,3-benzothiazol-2-yl)-2-sulfonato-phenyl]diazenyl]benzenesulfonate Openeye Name: 5-(5-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-methyl-1,3-benzothiazol-2-yl)-2-sulfonato-phenyl]azo-benzenesulfonate CAS Name: 5-(5-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-methyl-1,3-benzothiazol-2-yl)-2-sulfonatophenyl]azobenzenesulfonate IUPAC Name: 5-(5-methyl-1,3-benzothiazol-2-yl)-2-[[4-(5-methyl-1,3-benzothiazol-2-yl)-2-sulfonatophenyl]diazenyl]benzenesulfonate Traditional Name: 5-(5-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-methyl-1,3-benzothiazol-2-yl)-2-sulfonato-phenyl]azo-besylate Formula: C28H18N4O6S4-2 MolecularWeight: 634.72572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC(=C(C=C3)N=NC4=C(C=C(C=C4)C5=NC6=C(S5)C=CC(=C6)C)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC(=C(C=C3)N=NC4=C(C=C(C=C4)C5=NC6=C(S5)C=CC(=C6)C)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C28H20N4O6S4/c1-15-3-9-23-21(11-15)29-27(39-23)17-5-7-19(25(13-17)41(33,34)35)31-32-20-8-6-18(14-26(20)42(36,37)38)28-30-22-12-16(2)4-10-24(22)40-28/h3-14H,1-2H3,(H,33,34,35)(H,36,37,38)/p-2