4-phenyldiazenyl-2-[10-(5-phenyldiazenyl-2-sulfo-phenyl)deca-4,6-diynyl]benzenesulfonic acid

Systemtic Name: 4-phenyldiazenyl-2-[10-(5-phenyldiazenyl-2-sulfo-phenyl)deca-4,6-diynyl]benzenesulfonic acid Openeye Name: 4-phenylazo-2-[10-(5-phenylazo-2-sulfo-phenyl)deca-4,6-diynyl]benzenesulfonic acid CAS Name: 4-phenyldiazenyl-2-[10-(5-phenyldiazenyl-2-sulfophenyl)deca-4,6-diynyl]benzenesulfonic acid IUPAC Name: 4-phenyldiazenyl-2-[10-(5-phenyldiazenyl-2-sulfophenyl)deca-4,6-diynyl]benzenesulfonic acid Traditional Name: 4-phenylazo-2-[10-(5-phenylazo-2-sulfo-phenyl)deca-4,6-diynyl]besylic acid Formula: C34H30N4O6S2 MolecularWeight: 654.7552

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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)CCCC#CC#CCCCC3=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)CCCC#CC#CCCCC3=C(C=CC(=C3)N=NC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C34H30N4O6S2/c39-45(40,41)33-23-21-31(37-35-29-17-11-7-12-18-29)25-27(33)15-9-5-3-1-2-4-6-10-16-28-26-32(22-24-34(28)46(42,43)44)38-36-30-19-13-8-14-20-30/h7-8,11-14,17-26H,5-6,9-10,15-16H2,(H,39,40,41)(H,42,43,44)