3-(3-hexoxy-2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxypropanoic acid

Systemtic Name: 3-(3-hexoxy-2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxypropanoic acid Openeye Name: 3-(3-hexoxy-2-hydroxy-4-oxo-chromen-6-yl)oxypropanoic acid CAS Name: 3-[(3-hexoxy-2-hydroxy-4-oxo-1-benzopyran-6-yl)oxy]propanoic acid IUPAC Name: 3-(3-hexoxy-2-hydroxy-4-oxochromen-6-yl)oxypropanoic acid Traditional Name: 3-(3-hexoxy-2-hydroxy-4-keto-chromen-6-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=C(C=C2)OCCC(=O)O)O

Isomeric SMILES

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

InChI

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