(1R,3E)-3-[2-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclopentane-1-carboxylic acid

Systemtic Name: (1R,3E)-3-[2-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclopentane-1-carboxylic acid Openeye Name: (1R,3E)-3-[2-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclopentanecarboxylic acid CAS Name: (1R,3E)-3-[2-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-1-cyclopentanecarboxylic acid IUPAC Name: (1R,3E)-3-[2-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclopentane-1-carboxylic acid Traditional Name: (1R,3E)-3-[2-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)ethylidene]cyclopentanecarboxylic acid Formula: C19H22O5 MolecularWeight: 330.37498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C3CCC(C3)C(=O)O)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C/3\CC[C@H](C3)C(=O)O)O)C(=O)OC2)C

InChI

InChI=1S/C19H22O5/c1-3-13-10(2)15-9-24-19(23)16(15)17(20)14(13)7-5-11-4-6-12(8-11)18(21)22/h5,12,20H,3-4,6-9H2,1-2H3,(H,21,22)/b11-5+/t12-/m1/s1