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

Systemtic Name: 3-[2-[6-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexoxy]phenyl]propanoic acid Openeye Name: 3-[2-[6-(4-oxo-8-propyl-chroman-7-yl)oxyhexoxy]phenyl]propanoic acid CAS Name: 3-[2-[6-[(4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]hexoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexoxy]phenyl]propanoic acid Traditional Name: 3-[2-[6-(4-keto-8-propyl-chroman-7-yl)oxyhexoxy]phenyl]propionic acid Formula: C27H34O6 MolecularWeight: 454.55526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCOC3=CC=CC=C3CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCOC3=CC=CC=C3CCC(=O)O

InChI

InChI=1S/C27H34O6/c1-2-9-22-25(14-13-21-23(28)16-19-33-27(21)22)32-18-8-4-3-7-17-31-24-11-6-5-10-20(24)12-15-26(29)30/h5-6,10-11,13-14H,2-4,7-9,12,15-19H2,1H3,(H,29,30)