5-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxypentanoic acid

Systemtic Name: 5-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxypentanoic acid Openeye Name: 5-(2-hydroxy-3-octoxy-4-oxo-chromen-6-yl)oxypentanoic acid CAS Name: 5-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-6-yl)oxy]pentanoic acid IUPAC Name: 5-(2-hydroxy-3-octoxy-4-oxochromen-6-yl)oxypentanoic acid Traditional Name: 5-(2-hydroxy-4-keto-3-octoxy-chromen-6-yl)oxyvaleric acid Formula: C22H30O7 MolecularWeight: 406.4694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(OC2=C(C1=O)C=C(C=C2)OCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=C(OC2=C(C1=O)C=C(C=C2)OCCCCC(=O)O)O

InChI

InChI=1S/C22H30O7/c1-2-3-4-5-6-8-14-28-21-20(25)17-15-16(11-12-18(17)29-22(21)26)27-13-9-7-10-19(23)24/h11-12,15,26H,2-10,13-14H2,1H3,(H,23,24)