3-[5-[6-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]thiophen-2-yl]propanoic acid

Systemtic Name: 3-[5-[6-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]thiophen-2-yl]propanoic acid Openeye Name: 3-[5-[6-(4-oxo-8-propyl-chroman-7-yl)oxyhexyl]-2-thienyl]propanoic acid CAS Name: 3-[5-[6-[(4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]hexyl]-2-thiophenyl]propanoic acid IUPAC Name: 3-[5-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]thiophen-2-yl]propanoic acid Traditional Name: 3-[5-[6-(4-keto-8-propyl-chroman-7-yl)oxyhexyl]-2-thienyl]propionic acid Formula: C25H32O5S MolecularWeight: 444.58358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCC3=CC=C(S3)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCC3=CC=C(S3)CCC(=O)O

InChI

InChI=1S/C25H32O5S/c1-2-7-21-23(13-12-20-22(26)15-17-30-25(20)21)29-16-6-4-3-5-8-18-9-10-19(31-18)11-14-24(27)28/h9-10,12-13H,2-8,11,14-17H2,1H3,(H,27,28)