6-oxidanylidene-6-phenanthren-9-yl-hexanoic acid

Systemtic Name: 6-oxidanylidene-6-phenanthren-9-yl-hexanoic acid Openeye Name: 6-oxo-6-(9-phenanthryl)hexanoic acid CAS Name: 6-oxo-6-(9-phenanthrenyl)hexanoic acid IUPAC Name: 6-oxo-6-phenanthren-9-ylhexanoic acid Traditional Name: 6-keto-6-(9-phenanthryl)hexanoic acid Formula: C20H18O3 MolecularWeight: 306.35512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(=O)CCCCC(=O)O

InChI

InChI=1S/C20H18O3/c21-19(11-5-6-12-20(22)23)18-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18/h1-4,7-10,13H,5-6,11-12H2,(H,22,23)