5,6-dimethoxy-7,12-dimethyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 5,6-dimethoxy-7,12-dimethyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Openeye Name: 5,6-dimethoxy-7,12-dimethyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one CAS Name: 5,6-dimethoxy-7,12-dimethylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 5,6-dimethoxy-7,12-dimethylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Traditional Name: 5,6-dimethoxy-7,12-dimethyl-benz[a]anthracene; 2,4,7-trinitrofluoren-9-one Formula: C35H25N3O9 MolecularWeight: 631.5877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC=CC=C3C(=C(C2=C(C4=CC=CC=C14)C)OC)OC.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C3=CC=CC=C3C(=C(C2=C(C4=CC=CC=C14)C)OC)OC.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20O2.C13H5N3O7/c1-13-15-9-5-6-10-16(15)14(2)20-19(13)17-11-7-8-12-18(17)21(23-3)22(20)24-4;17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h5-12H,1-4H3;1-5H