5-[(7-carboxy-3-methyl-1-benzofuran-5-yl)methyl]-3-methyl-1-benzofuran-7-carboxylic acid

Systemtic Name: 5-[(7-carboxy-3-methyl-1-benzofuran-5-yl)methyl]-3-methyl-1-benzofuran-7-carboxylic acid Openeye Name: 5-[(7-carboxy-3-methyl-benzofuran-5-yl)methyl]-3-methyl-benzofuran-7-carboxylic acid CAS Name: 5-[(7-carboxy-3-methyl-5-benzofuranyl)methyl]-3-methyl-7-benzofurancarboxylic acid IUPAC Name: 5-[(7-carboxy-3-methyl-1-benzofuran-5-yl)methyl]-3-methyl-1-benzofuran-7-carboxylic acid Traditional Name: 5-[(7-carboxy-3-methyl-benzofuran-5-yl)methyl]-3-methyl-benzofuran-7-carboxylic acid Formula: C21H16O6 MolecularWeight: 364.34814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=C(C=C12)CC3=CC(=C4C(=C3)C(=CO4)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=COC2=C(C=C(C=C12)CC3=CC(=C4C(=C3)C(=CO4)C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H16O6/c1-10-8-26-18-14(10)4-12(6-16(18)20(22)23)3-13-5-15-11(2)9-27-19(15)17(7-13)21(24)25/h4-9H,3H2,1-2H3,(H,22,23)(H,24,25)