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

Systemtic Name: 2-[(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-en-2-yl]cyclopentane-1-carboxylic acid Openeye Name: 2-[(E)-3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid CAS Name: 2-[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)but-2-en-2-yl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)but-2-en-2-yl]cyclopentane-1-carboxylic acid Traditional Name: 2-[(E)-3-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)C3CCCC3C(=O)O)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(\C)/C3CCCC3C(=O)O)O)C(=O)OC2)C

InChI

InChI=1S/C21H26O5/c1-4-13-12(3)17-10-26-21(25)18(17)19(22)15(13)9-8-11(2)14-6-5-7-16(14)20(23)24/h8,14,16,22H,4-7,9-10H2,1-3H3,(H,23,24)/b11-8+