3-[2-(2-carboxyethyl)-7-octoxy-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-7-octoxy-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-7-octoxy-4-oxo-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-7-octoxy-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-7-octoxy-4-oxo-8-propyl-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-4-keto-7-octoxy-8-propyl-chroman-2-yl]propionic acid Formula: C26H38O7 MolecularWeight: 462.57572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C1)C(=O)CC(O2)(CCC(=O)O)CCC(=O)O)CCC

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C1)C(=O)CC(O2)(CCC(=O)O)CCC(=O)O)CCC

InChI

InChI=1S/C26H38O7/c1-3-5-6-7-8-9-17-32-22-12-11-19-21(27)18-26(15-13-23(28)29,16-14-24(30)31)33-25(19)20(22)10-4-2/h11-12H,3-10,13-18H2,1-2H3,(H,28,29)(H,30,31)