5-[(2E)-2-[2-(carboxymethyl)cyclohexylidene]ethyl]-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-4-carboxylic acid

Systemtic Name: 5-[(2E)-2-[2-(carboxymethyl)cyclohexylidene]ethyl]-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-4-carboxylic acid Openeye Name: 5-[(2E)-2-[2-(carboxymethyl)cyclohexylidene]ethyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-carboxylic acid CAS Name: 5-[(2E)-2-[2-(carboxymethyl)cyclohexylidene]ethyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-carboxylic acid IUPAC Name: 5-[(2E)-2-[2-(carboxymethyl)cyclohexylidene]ethyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-carboxylic acid Traditional Name: 5-[(2E)-2-[2-(carboxymethyl)cyclohexylidene]ethyl]-3-keto-6-methoxy-7-methyl-phthalan-4-carboxylic acid Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C3CCCCC3CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C/3\CCCCC3CC(=O)O)C(=O)O

InChI

InChI=1S/C21H24O7/c1-11-15-10-28-21(26)18(15)17(20(24)25)14(19(11)27-2)8-7-12-5-3-4-6-13(12)9-16(22)23/h7,13H,3-6,8-10H2,1-2H3,(H,22,23)(H,24,25)/b12-7+