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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCOC3=CC=CC4=C3OC(=C4)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCOC3=CC=CC4=C3OC(=C4)C(=O)O

InChI

InChI=1S/C26H28O7/c1-2-7-19-21(11-10-18-20(27)12-15-32-25(18)19)30-13-4-3-5-14-31-22-9-6-8-17-16-23(26(28)29)33-24(17)22/h6,8-11,16H,2-5,7,12-15H2,1H3,(H,28,29)