3-[4-oxidanylidene-7-[2-oxidanyl-3-(2-propylphenoxy)propoxy]-8-propyl-chromen-2-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-7-[2-oxidanyl-3-(2-propylphenoxy)propoxy]-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[2-hydroxy-3-(2-propylphenoxy)propoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid Formula: C27H32O7 MolecularWeight: 468.53878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)CCC(=O)O)CCC)O

Isomeric SMILES

CCCC1=CC=CC=C1OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)CCC(=O)O)CCC)O

InChI

InChI=1S/C27H32O7/c1-3-7-18-9-5-6-10-24(18)32-16-19(28)17-33-25-13-12-21-23(29)15-20(11-14-26(30)31)34-27(21)22(25)8-4-2/h5-6,9-10,12-13,15,19,28H,3-4,7-8,11,14,16-17H2,1-2H3,(H,30,31)