3-[7-[6-(4-bromanylphenoxy)hexoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid

Systemtic Name: 3-[7-[6-(4-bromanylphenoxy)hexoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[6-(4-bromophenoxy)hexoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[6-(4-bromophenoxy)hexoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[6-(4-bromophenoxy)hexoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[6-(4-bromophenoxy)hexoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid Formula: C27H31BrO6 MolecularWeight: 531.43544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCCCCCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCCCCCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C27H31BrO6/c1-2-7-23-25(14-13-22-24(29)18-21(34-27(22)23)12-15-26(30)31)33-17-6-4-3-5-16-32-20-10-8-19(28)9-11-20/h8-11,13-14,18H,2-7,12,15-17H2,1H3,(H,30,31)