(2S)-2-methyl-2-(4-methylcyclohex-3-en-1-yl)-4-oxidanyl-3H-1-benzofuran-6-carboxylic acid

Systemtic Name: (2S)-2-methyl-2-(4-methylcyclohex-3-en-1-yl)-4-oxidanyl-3H-1-benzofuran-6-carboxylic acid Openeye Name: (2S)-4-hydroxy-2-methyl-2-(4-methylcyclohex-3-en-1-yl)-3H-benzofuran-6-carboxylic acid CAS Name: (2S)-4-hydroxy-2-methyl-2-(4-methyl-1-cyclohex-3-enyl)-3H-benzofuran-6-carboxylic acid IUPAC Name: (2S)-4-hydroxy-2-methyl-2-(4-methylcyclohex-3-en-1-yl)-3H-1-benzofuran-6-carboxylic acid Traditional Name: (2S)-4-hydroxy-2-methyl-2-(4-methylcyclohex-3-en-1-yl)coumaran-6-carboxylic acid Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)C2(CC3=C(O2)C=C(C=C3O)C(=O)O)C

Isomeric SMILES

CC1=CCC(CC1)[C@@]2(CC3=C(O2)C=C(C=C3O)C(=O)O)C

InChI

InChI=1S/C17H20O4/c1-10-3-5-12(6-4-10)17(2)9-13-14(18)7-11(16(19)20)8-15(13)21-17/h3,7-8,12,18H,4-6,9H2,1-2H3,(H,19,20)/t12?,17-/m0/s1