2-[(E)-3-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)prop-1-enyl]cycloheptane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=CC3CCCCCC3C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C/C3CCCCCC3C(=O)O)OC

InChI

InChI=1S/C21H26O6/c1-12-16-11-27-21(25)17(16)18(22)15(19(12)26-2)10-6-8-13-7-4-3-5-9-14(13)20(23)24/h6,8,13-14,22H,3-5,7,9-11H2,1-2H3,(H,23,24)/b8-6+