4-nitro-1,5-bis(oxidanyl)-8-phenyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione

Systemtic Name: 4-nitro-1,5-bis(oxidanyl)-8-phenyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione Openeye Name: 1,5-dihydroxy-4-nitro-8-phenyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione CAS Name: 1,5-dihydroxy-4-nitro-8-phenyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione IUPAC Name: 1,5-dihydroxy-4-nitro-8-phenyl-2,6-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione Traditional Name: 1,5-dihydroxy-4-nitro-8-phenyl-2,6-bis(3,5,5-trimethylhexyl)-9,10-anthraquinone Formula: C38H47NO6 MolecularWeight: 613.78288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3C4=CC=CC=C4)CCC(C)CC(C)(C)C)O)[N+](=O)[O-])CC(C)(C)C

Isomeric SMILES

CC(CCC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3C4=CC=CC=C4)CCC(C)CC(C)(C)C)O)[N+](=O)[O-])CC(C)(C)C

InChI

InChI=1S/C38H47NO6/c1-22(20-37(3,4)5)14-16-25-18-27(24-12-10-9-11-13-24)29-31(33(25)40)36(43)30-28(39(44)45)19-26(34(41)32(30)35(29)42)17-15-23(2)21-38(6,7)8/h9-13,18-19,22-23,40-41H,14-17,20-21H2,1-8H3