2-naphthalen-2-ylcarbonylbenzoic acid; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 2-naphthalen-2-ylcarbonylbenzoic acid; 2,4,7-trinitrofluoren-9-one Openeye Name: 2-(naphthalene-2-carbonyl)benzoic acid; 2,4,7-trinitrofluoren-9-one CAS Name: 2-[2-naphthalenyl(oxo)methyl]benzoic acid; 2,4,7-trinitro-9-fluorenone IUPAC Name: 2-(naphthalene-2-carbonyl)benzoic acid; 2,4,7-trinitrofluoren-9-one Traditional Name: 2-(2-naphthoyl)benzoic acid; 2,4,7-trinitrofluoren-9-one Formula: C31H17N3O10 MolecularWeight: 591.48078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC=CC=C3C(=O)O.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC=CC=C3C(=O)O.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12O3.C13H5N3O7/c19-17(15-7-3-4-8-16(15)18(20)21)14-10-9-12-5-1-2-6-13(12)11-14;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/h1-11H,(H,20,21);1-5H