5,8-bis(oxidanyl)-2,6-bis[(4-pentylphenyl)amino]naphthalene-1,4-dione

Systemtic Name: 5,8-bis(oxidanyl)-2,6-bis[(4-pentylphenyl)amino]naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2,6-bis(4-pentylanilino)naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2,6-bis(4-pentylanilino)naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2,6-bis(4-pentylanilino)naphthalene-1,4-dione Traditional Name: 2,6-bis(4-amylanilino)-5,8-dihydroxy-1,4-naphthoquinone Formula: C32H36N2O4 MolecularWeight: 512.63924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)CCCCC)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)CCCCC)O

InChI

InChI=1S/C32H36N2O4/c1-3-5-7-9-21-11-15-23(16-12-21)33-25-19-27(35)30-29(31(25)37)28(36)20-26(32(30)38)34-24-17-13-22(14-18-24)10-8-6-4-2/h11-20,33-35,37H,3-10H2,1-2H3