3-[4-oxidanylidene-7-(3-phenoxypropoxy)chromen-2-yl]prop-2-ynoic acid

Systemtic Name: 3-[4-oxidanylidene-7-(3-phenoxypropoxy)chromen-2-yl]prop-2-ynoic acid Openeye Name: 3-[4-oxo-7-(3-phenoxypropoxy)chromen-2-yl]prop-2-ynoic acid CAS Name: 3-[4-oxo-7-(3-phenoxypropoxy)-1-benzopyran-2-yl]-2-propynoic acid IUPAC Name: 3-[4-oxo-7-(3-phenoxypropoxy)chromen-2-yl]prop-2-ynoic acid Traditional Name: 3-[4-keto-7-(3-phenoxypropoxy)chromen-2-yl]propiolic acid Formula: C21H16O6 MolecularWeight: 364.34814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=CC3=C(C=C2)C(=O)C=C(O3)C#CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=CC3=C(C=C2)C(=O)C=C(O3)C#CC(=O)O

InChI

InChI=1S/C21H16O6/c22-19-13-17(8-10-21(23)24)27-20-14-16(7-9-18(19)20)26-12-4-11-25-15-5-2-1-3-6-15/h1-3,5-7,9,13-14H,4,11-12H2,(H,23,24)