3-[5-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]pentoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[5-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]pentoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[5-(4-oxo-8-propyl-chroman-7-yl)oxypentoxy]benzofuran-2-carboxylic acid CAS Name: 3-[5-[(4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]pentoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-[5-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]pentoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[5-(4-keto-8-propyl-chroman-7-yl)oxypentoxy]coumarilic acid Formula: C26H28O7 MolecularWeight: 452.49632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCOC3=C(OC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCOC3=C(OC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H28O7/c1-2-8-18-21(12-11-17-20(27)13-16-32-23(17)18)30-14-6-3-7-15-31-24-19-9-4-5-10-22(19)33-25(24)26(28)29/h4-5,9-12H,2-3,6-8,13-16H2,1H3,(H,28,29)