4-chrysen-6-yl-2-oxidanylidene-butanoic acid

Systemtic Name: 4-chrysen-6-yl-2-oxidanylidene-butanoic acid Openeye Name: 4-chrysen-6-yl-2-oxo-butanoic acid CAS Name: 4-(6-chrysenyl)-2-oxobutanoic acid IUPAC Name: 4-chrysen-6-yl-2-oxobutanoic acid Traditional Name: 4-chrysen-6-yl-2-keto-butyric acid Formula: C22H16O3 MolecularWeight: 328.36064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)CCC(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)CCC(=O)C(=O)O

InChI

InChI=1S/C22H16O3/c23-21(22(24)25)12-10-15-13-20-16-6-2-1-5-14(16)9-11-19(20)18-8-4-3-7-17(15)18/h1-9,11,13H,10,12H2,(H,24,25)