3,5,8-tris(chloranyl)-10-[(4-phenylmethoxyphenyl)amino]pyrene-1,6-dione

Systemtic Name: 3,5,8-tris(chloranyl)-10-[(4-phenylmethoxyphenyl)amino]pyrene-1,6-dione Openeye Name: 5-(4-benzyloxyanilino)-3,8,10-trichloro-pyrene-1,6-dione CAS Name: 3,5,8-trichloro-10-(4-phenylmethoxyanilino)pyrene-1,6-dione IUPAC Name: 3,5,8-trichloro-10-(4-phenylmethoxyanilino)pyrene-1,6-dione Traditional Name: 5-(4-benzoxyanilino)-3,8,10-trichloro-pyrene-1,6-quinone Formula: C29H16Cl3NO3 MolecularWeight: 532.80124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=C4C(=O)C=C(C5=CC(=C6C(=O)C=C(C(=C3)C6=C54)Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=C4C(=O)C=C(C5=CC(=C6C(=O)C=C(C(=C3)C6=C54)Cl)Cl)Cl

InChI

InChI=1S/C29H16Cl3NO3/c30-20-13-25(35)29-23(33-16-6-8-17(9-7-16)36-14-15-4-2-1-3-5-15)11-19-21(31)12-24(34)28-22(32)10-18(20)27(29)26(19)28/h1-13,33H,14H2