7-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)hept-5-ynoic acid

Systemtic Name: 7-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)hept-5-ynoic acid Openeye Name: 7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)hept-5-ynoic acid CAS Name: 7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-5-heptynoic acid IUPAC Name: 7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)hept-5-ynoic acid Traditional Name: 7-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)hept-5-ynoic acid Formula: C17H18O6 MolecularWeight: 318.32122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC#CCCCC(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)CC#CCCCC(=O)O)OC

InChI

InChI=1S/C17H18O6/c1-10-12-9-23-17(21)14(12)15(20)11(16(10)22-2)7-5-3-4-6-8-13(18)19/h20H,4,6-9H2,1-2H3,(H,18,19)