3-[2-[6-(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)hex-5-ynoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-[6-(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)hex-5-ynoxy]phenyl]propanoic acid Openeye Name: 3-[2-[6-(4-oxo-8-propyl-chroman-7-yl)hex-5-ynoxy]phenyl]propanoic acid CAS Name: 3-[2-[6-(4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl)hex-5-ynoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[6-(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)hex-5-ynoxy]phenyl]propanoic acid Traditional Name: 3-[2-[6-(4-keto-8-propyl-chroman-7-yl)hex-5-ynoxy]phenyl]propionic acid Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)C#CCCCCOC3=CC=CC=C3CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)C#CCCCCOC3=CC=CC=C3CCC(=O)O

InChI

InChI=1S/C27H30O5/c1-2-9-22-20(13-15-23-24(28)17-19-32-27(22)23)10-5-3-4-8-18-31-25-12-7-6-11-21(25)14-16-26(29)30/h6-7,11-13,15H,2-4,8-9,14,16-19H2,1H3,(H,29,30)