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

Systemtic Name: 3-[2-[6-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]phenyl]propanoic acid Openeye Name: 3-[2-[6-(4-oxo-8-propyl-chroman-7-yl)oxyhexyl]phenyl]propanoic acid CAS Name: 3-[2-[6-[(4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]hexyl]phenyl]propanoic acid IUPAC Name: 3-[2-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]phenyl]propanoic acid Traditional Name: 3-[2-[6-(4-keto-8-propyl-chroman-7-yl)oxyhexyl]phenyl]propionic acid Formula: C27H34O5 MolecularWeight: 438.55586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCC3=CC=CC=C3CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCC3=CC=CC=C3CCC(=O)O

InChI

InChI=1S/C27H34O5/c1-2-9-23-25(15-14-22-24(28)17-19-32-27(22)23)31-18-8-4-3-5-10-20-11-6-7-12-21(20)13-16-26(29)30/h6-7,11-12,14-15H,2-5,8-10,13,16-19H2,1H3,(H,29,30)