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4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1,6-disulfonic acid
4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1,6-disulfonic acid
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Canonical SMILES:
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)C)N=NC5=CC(=C6C=CC(=CC6=C5N)S(=O)(=O)O)S(=O)(=O)O
Isomeric SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)C)N=NC5=CC(=C6C=CC(=CC6=C5N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C34H28N6O9S3/c1-18-13-20(7-11-27(18)37-39-29-16-31(51(44,45)46)23-5-3-4-6-25(23)33(29)35)21-8-12-28(19(2)14-21)38-40-30-17-32(52(47,48)49)24-10-9-22(50(41,42)43)15-26(24)34(30)36/h3-17H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)
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