5-(4-bromanylphenoxy)-3,8-bis(chloranyl)-10-phenylazanyl-pyrene-1,6-dione

Systemtic Name: 5-(4-bromanylphenoxy)-3,8-bis(chloranyl)-10-phenylazanyl-pyrene-1,6-dione Openeye Name: 5-anilino-10-(4-bromophenoxy)-3,8-dichloro-pyrene-1,6-dione CAS Name: 5-anilino-10-(4-bromophenoxy)-3,8-dichloropyrene-1,6-dione IUPAC Name: 5-anilino-10-(4-bromophenoxy)-3,8-dichloropyrene-1,6-dione Traditional Name: 5-anilino-10-(4-bromophenoxy)-3,8-dichloro-pyrene-1,6-quinone Formula: C28H14BrCl2NO3 MolecularWeight: 563.22566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=O)C=C(C4=CC(=C5C(=O)C=C(C(=C2)C5=C43)Cl)OC6=CC=C(C=C6)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=O)C=C(C4=CC(=C5C(=O)C=C(C(=C2)C5=C43)Cl)OC6=CC=C(C=C6)Br)Cl

InChI

InChI=1S/C28H14BrCl2NO3/c29-14-6-8-16(9-7-14)35-24-11-18-20(31)12-22(33)27-21(32-15-4-2-1-3-5-15)10-17-19(30)13-23(34)28(24)26(17)25(18)27/h1-13,32H