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

Systemtic Name: 3-[2-[8-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]octoxy]phenyl]propanoic acid Openeye Name: 3-[2-[8-(4-oxo-8-propyl-chroman-7-yl)oxyoctoxy]phenyl]propanoic acid CAS Name: 3-[2-[8-[(4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]octoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[8-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]octoxy]phenyl]propanoic acid Traditional Name: 3-[2-[8-(4-keto-8-propyl-chroman-7-yl)oxyoctoxy]phenyl]propionic acid Formula: C29H38O6 MolecularWeight: 482.60842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCCCOC3=CC=CC=C3CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCCCOC3=CC=CC=C3CCC(=O)O

InChI

InChI=1S/C29H38O6/c1-2-11-24-27(16-15-23-25(30)18-21-35-29(23)24)34-20-10-6-4-3-5-9-19-33-26-13-8-7-12-22(26)14-17-28(31)32/h7-8,12-13,15-16H,2-6,9-11,14,17-21H2,1H3,(H,31,32)