3-[2-[6-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]thiophen-3-yl]propanoic acid

Systemtic Name: 3-[2-[6-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]thiophen-3-yl]propanoic acid Openeye Name: 3-[2-[6-(4-oxo-8-propyl-chroman-7-yl)oxyhexyl]-3-thienyl]propanoic acid CAS Name: 3-[2-[6-[(4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]hexyl]-3-thiophenyl]propanoic acid IUPAC Name: 3-[2-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]thiophen-3-yl]propanoic acid Traditional Name: 3-[2-[6-(4-keto-8-propyl-chroman-7-yl)oxyhexyl]-3-thienyl]propionic acid Formula: C25H32O5S MolecularWeight: 444.58358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCC3=C(C=CS3)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCC3=C(C=CS3)CCC(=O)O

InChI

InChI=1S/C25H32O5S/c1-2-7-20-22(11-10-19-21(26)13-16-30-25(19)20)29-15-6-4-3-5-8-23-18(14-17-31-23)9-12-24(27)28/h10-11,14,17H,2-9,12-13,15-16H2,1H3,(H,27,28)