9-pyren-1-ylnonanoic acid

Systemtic Name: 9-pyren-1-ylnonanoic acid Openeye Name: 9-pyren-1-ylnonanoic acid CAS Name: 9-(1-pyrenyl)nonanoic acid IUPAC Name: 9-pyren-1-ylnonanoic acid Traditional Name: 9-pyren-1-ylpelargonic acid Formula: C25H26O2 MolecularWeight: 358.47274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCCCCC(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCCCCC(=O)O

InChI

InChI=1S/C25H26O2/c26-23(27)11-6-4-2-1-3-5-8-18-12-13-21-15-14-19-9-7-10-20-16-17-22(18)25(21)24(19)20/h7,9-10,12-17H,1-6,8,11H2,(H,26,27)