3-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxypropanoic acid

Systemtic Name: 3-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxypropanoic acid Openeye Name: 3-(2-hydroxy-3-octoxy-4-oxo-chromen-5-yl)oxypropanoic acid CAS Name: 3-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-5-yl)oxy]propanoic acid IUPAC Name: 3-(2-hydroxy-3-octoxy-4-oxochromen-5-yl)oxypropanoic acid Traditional Name: 3-(2-hydroxy-4-keto-3-octoxy-chromen-5-yl)oxypropionic acid Formula: C20H26O7 MolecularWeight: 378.41624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCC(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCC(=O)O)O

InChI

InChI=1S/C20H26O7/c1-2-3-4-5-6-7-12-26-19-18(23)17-14(25-13-11-16(21)22)9-8-10-15(17)27-20(19)24/h8-10,24H,2-7,11-13H2,1H3,(H,21,22)