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

Systemtic Name: 3-[2-(2-carboxyethyl)-4-oxidanylidene-7-(3-phenoxypropoxy)-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-4-oxo-7-(3-phenoxypropoxy)chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-4-oxo-7-(3-phenoxypropoxy)-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-4-oxo-7-(3-phenoxypropoxy)-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-4-keto-7-(3-phenoxypropoxy)chroman-2-yl]propionic acid Formula: C24H26O8 MolecularWeight: 442.45844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(C=C(C=C2)OCCCOC3=CC=CC=C3)OC1(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1C(=O)C2=C(C=C(C=C2)OCCCOC3=CC=CC=C3)OC1(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C24H26O8/c25-20-16-24(11-9-22(26)27,12-10-23(28)29)32-21-15-18(7-8-19(20)21)31-14-4-13-30-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2,(H,26,27)(H,28,29)