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

Systemtic Name: 2-[(E)-3-(6-ethenyl-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-7-methyl-3-oxo-6-vinyl-1H-isobenzofuran-5-yl)prop-1-enyl]cycloheptanecarboxylic acid CAS Name: 2-[(E)-3-(6-ethenyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl]-1-cycloheptanecarboxylic acid IUPAC Name: 2-[(E)-3-(6-ethenyl-4-hydroxy-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-7-methyl-6-vinyl-phthalan-5-yl)prop-1-enyl]cycloheptanecarboxylic acid Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O5/c1-3-15-13(2)18-12-27-22(26)19(18)20(23)17(15)11-7-9-14-8-5-4-6-10-16(14)21(24)25/h3,7,9,14,16,23H,1,4-6,8,10-12H2,2H3,(H,24,25)/b9-7+