(1S)-3-[(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid

Systemtic Name: (1S)-3-[(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid Openeye Name: (1S)-3-[(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid CAS Name: (1S)-3-[(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]-4-methyl-1-cyclopent-3-enecarboxylic acid IUPAC Name: (1S)-3-[(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methyl]-4-methylcyclopent-3-ene-1-carboxylic acid Traditional Name: (1S)-3-[(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid Formula: C19H22O5 MolecularWeight: 330.37498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC3=C(CC(C3)C(=O)O)C)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1CC3=C(C[C@@H](C3)C(=O)O)C)O)C(=O)OC2)C

InChI

InChI=1S/C19H22O5/c1-4-13-10(3)15-8-24-19(23)16(15)17(20)14(13)7-11-6-12(18(21)22)5-9(11)2/h12,20H,4-8H2,1-3H3,(H,21,22)/t12-/m0/s1