6-(3,7-dimethyloctoxy)-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-(3,7-dimethyloctoxy)-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 6-(3,7-dimethyloctoxy)-3-methyl-benzofuran-2-carboxylic acid CAS Name: 6-(3,7-dimethyloctoxy)-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 6-(3,7-dimethyloctoxy)-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 6-(3,7-dimethyloctoxy)-3-methyl-coumarilic acid Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)OCCC(C)CCCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)OCCC(C)CCCC(C)C)C(=O)O

InChI

InChI=1S/C20H28O4/c1-13(2)6-5-7-14(3)10-11-23-16-8-9-17-15(4)19(20(21)22)24-18(17)12-16/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,21,22)