1-methoxybenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 1-methoxybenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one Openeye Name: 1-methoxybenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one CAS Name: 1-methoxybenzo[c]phenanthrene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 1-methoxybenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one Traditional Name: 1-methoxybenzo[c]phenanthrene; 2,4,7-trinitrofluoren-9-one Formula: C32H19N3O8 MolecularWeight: 573.50856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(C=C2)C=CC4=CC=CC=C43.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC2=C1C3=C(C=C2)C=CC4=CC=CC=C43.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14O.C13H5N3O7/c1-20-17-8-4-6-14-11-12-15-10-9-13-5-2-3-7-16(13)18(15)19(14)17;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