4-phenyldiazenyl-2-[12-(5-phenyldiazenyl-2-sulfo-phenyl)dodeca-5,7-diynyl]benzenesulfonic acid

Systemtic Name: 4-phenyldiazenyl-2-[12-(5-phenyldiazenyl-2-sulfo-phenyl)dodeca-5,7-diynyl]benzenesulfonic acid Openeye Name: 4-phenylazo-2-[12-(5-phenylazo-2-sulfo-phenyl)dodeca-5,7-diynyl]benzenesulfonic acid CAS Name: 4-phenyldiazenyl-2-[12-(5-phenyldiazenyl-2-sulfophenyl)dodeca-5,7-diynyl]benzenesulfonic acid IUPAC Name: 4-phenyldiazenyl-2-[12-(5-phenyldiazenyl-2-sulfophenyl)dodeca-5,7-diynyl]benzenesulfonic acid Traditional Name: 4-phenylazo-2-[12-(5-phenylazo-2-sulfo-phenyl)dodeca-5,7-diynyl]besylic acid Formula: C36H34N4O6S2 MolecularWeight: 682.80836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)S(=O)(=O)O)CCCCC#CC#CCCCCC3=C(C=CC(=C3)N=NC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)S(=O)(=O)O)CCCCC#CC#CCCCCC3=C(C=CC(=C3)N=NC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C36H34N4O6S2/c41-47(42,43)35-25-23-33(39-37-31-19-13-9-14-20-31)27-29(35)17-11-7-5-3-1-2-4-6-8-12-18-30-28-34(24-26-36(30)48(44,45)46)40-38-32-21-15-10-16-22-32/h9-10,13-16,19-28H,5-8,11-12,17-18H2,(H,41,42,43)(H,44,45,46)