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

Systemtic Name: 3-(3-hexoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxypropanoic acid Openeye Name: 3-(3-hexoxy-2-hydroxy-4-oxo-chromen-5-yl)oxypropanoic acid CAS Name: 3-[(3-hexoxy-2-hydroxy-4-oxo-1-benzopyran-5-yl)oxy]propanoic acid IUPAC Name: 3-(3-hexoxy-2-hydroxy-4-oxochromen-5-yl)oxypropanoic acid Traditional Name: 3-(3-hexoxy-2-hydroxy-4-keto-chromen-5-yl)oxypropionic acid Formula: C18H22O7 MolecularWeight: 350.36308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCC(=O)O)O

Isomeric SMILES

CCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCC(=O)O)O

InChI

InChI=1S/C18H22O7/c1-2-3-4-5-10-24-17-16(21)15-12(23-11-9-14(19)20)7-6-8-13(15)25-18(17)22/h6-8,22H,2-5,9-11H2,1H3,(H,19,20)