3-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 3-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Openeye Name: 3-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one CAS Name: 3-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 3-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Traditional Name: 3-methylbenz[a]anthracene; 2,4,7-trinitrofluoren-9-one Formula: C32H19N3O7 MolecularWeight: 557.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=CC4=CC=CC=C4C=C3C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C3=CC4=CC=CC=C4C=C3C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14.C13H5N3O7/c1-13-6-9-18-16(10-13)7-8-17-11-14-4-2-3-5-15(14)12-19(17)18;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/h2-12H,1H3;1-5H