4-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxybutanoic acid

Systemtic Name: 4-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxybutanoic acid Openeye Name: 4-(2-hydroxy-3-octoxy-4-oxo-chromen-5-yl)oxybutanoic acid CAS Name: 4-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-5-yl)oxy]butanoic acid IUPAC Name: 4-(2-hydroxy-3-octoxy-4-oxochromen-5-yl)oxybutanoic acid Traditional Name: 4-(2-hydroxy-4-keto-3-octoxy-chromen-5-yl)oxybutyric acid Formula: C21H28O7 MolecularWeight: 392.44282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCCC(=O)O)O

InChI

InChI=1S/C21H28O7/c1-2-3-4-5-6-7-13-27-20-19(24)18-15(26-14-9-12-17(22)23)10-8-11-16(18)28-21(20)25/h8,10-11,25H,2-7,9,12-14H2,1H3,(H,22,23)