5,6-bis(4-phenyldiazenylphenyl)perylene-1,2,3,4-tetracarboxylic acid

Systemtic Name: 5,6-bis(4-phenyldiazenylphenyl)perylene-1,2,3,4-tetracarboxylic acid Openeye Name: 5,6-bis(4-phenylazophenyl)perylene-1,2,3,4-tetracarboxylic acid CAS Name: 5,6-bis(4-phenyldiazenylphenyl)perylene-1,2,3,4-tetracarboxylic acid IUPAC Name: 5,6-bis(4-phenyldiazenylphenyl)perylene-1,2,3,4-tetracarboxylic acid Traditional Name: 5,6-bis(4-phenylazophenyl)perylene-1,2,3,4-tetracarboxylic acid Formula: C48H28N4O8 MolecularWeight: 788.75792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=C(C(=C4C5=C3C6=CC=CC7=C6C(=CC=C7)C5=C(C(=C4C(=O)O)C(=O)O)C(=O)O)C(=O)O)C8=CC=C(C=C8)N=NC9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=C(C(=C4C5=C3C6=CC=CC7=C6C(=CC=C7)C5=C(C(=C4C(=O)O)C(=O)O)C(=O)O)C(=O)O)C8=CC=C(C=C8)N=NC9=CC=CC=C9

InChI

InChI=1S/C48H28N4O8/c53-45(54)41-36(27-19-23-31(24-20-27)52-50-29-13-5-2-6-14-29)35(26-17-21-30(22-18-26)51-49-28-11-3-1-4-12-28)37-32-15-7-9-25-10-8-16-33(34(25)32)38-39(37)40(41)43(47(57)58)44(48(59)60)42(38)46(55)56/h1-24H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)