4-bromanyl-7-methyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 4-bromanyl-7-methyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Openeye Name: 4-bromo-7-methyl-benzo[a]anthracene; 2,4,7-trinitrofluoren-9-one CAS Name: 4-bromo-7-methylbenzo[a]anthracene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 4-bromo-7-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one Traditional Name: 4-bromo-7-methyl-benz[a]anthracene; 2,4,7-trinitrofluoren-9-one Formula: C32H18BrN3O7 MolecularWeight: 636.40522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)C=CC=C3Br.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)C=CC=C3Br.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13Br.C13H5N3O7/c1-12-14-6-3-2-5-13(14)11-18-15(12)9-10-17-16(18)7-4-8-19(17)20;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/h2-11H,1H3;1-5H