7-nitro-4,5,9,10-tetrahydropyrene-2-carboxylic acid

Systemtic Name: 7-nitro-4,5,9,10-tetrahydropyrene-2-carboxylic acid Openeye Name: 7-nitro-4,5,9,10-tetrahydropyrene-2-carboxylic acid CAS Name: 7-nitro-4,5,9,10-tetrahydropyrene-2-carboxylic acid IUPAC Name: 7-nitro-4,5,9,10-tetrahydropyrene-2-carboxylic acid Traditional Name: 7-nitro-4,5,9,10-tetrahydropyrene-2-carboxylic acid Formula: C17H13NO4 MolecularWeight: 295.28942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C3C(=CC(=C2)[N+](=O)[O-])CCC4=C3C1=CC(=C4)C(=O)O

Isomeric SMILES

C1CC2=C3C(=CC(=C2)[N+](=O)[O-])CCC4=C3C1=CC(=C4)C(=O)O

InChI

InChI=1S/C17H13NO4/c19-17(20)13-5-9-1-3-11-7-14(18(21)22)8-12-4-2-10(6-13)15(9)16(11)12/h5-8H,1-4H2,(H,19,20)