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

Systemtic Name: 1-[(E)-but-2-en-2-yl]-3-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid Openeye Name: 3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-[(E)-1-methylprop-1-enyl]cyclohexanecarboxylic acid CAS Name: 1-[(E)-but-2-en-2-yl]-3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(E)-but-2-en-2-yl]-3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid Traditional Name: 3-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-1-[(E)-1-methylprop-1-enyl]cyclohexanecarboxylic acid Formula: C21H26O6 MolecularWeight: 374.42754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C1(CCCC(C1)C2=C(C3=C(COC3=O)C(=C2OC)C)O)C(=O)O

Isomeric SMILES

C/C=C(\C)/C1(CCCC(C1)C2=C(C3=C(COC3=O)C(=C2OC)C)O)C(=O)O

InChI

InChI=1S/C21H26O6/c1-5-11(2)21(20(24)25)8-6-7-13(9-21)15-17(22)16-14(10-27-19(16)23)12(3)18(15)26-4/h5,13,22H,6-10H2,1-4H3,(H,24,25)/b11-5+