6-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 6-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazole-7-sulfonic acid Openeye Name: 6-methyl-2-[2-[4-[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]azophenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazole-7-sulfonic acid CAS Name: 6-methyl-2-[2-[4-[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]azophenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 6-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazole-7-sulfonic acid Traditional Name: 6-methyl-2-[2-[4-[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]azophenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazole-7-sulfonic acid Formula: C42H26N6O6S6 MolecularWeight: 903.08244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)SC(=N4)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)C7=NC8=C(S7)C=C(C=C8)C9=NC1=C(S9)C(=C(C=C1)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)SC(=N4)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)C7=NC8=C(S7)C=C(C=C8)C9=NC1=C(S9)C(=C(C=C1)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C42H26N6O6S6/c1-21-3-15-30-35(37(21)59(49,50)51)57-41(44-30)25-10-18-33-32(19-25)46-40(55-33)24-7-13-28(14-8-24)48-47-27-11-5-23(6-12-27)39-43-29-17-9-26(20-34(29)56-39)42-45-31-16-4-22(2)38(36(31)58-42)60(52,53)54/h3-20H,1-2H3,(H,49,50,51)(H,52,53,54)