(E,2S)-6-(6-cyclopropyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-ethyl-4-methyl-hex-4-enoic acid

Systemtic Name: (E,2S)-6-(6-cyclopropyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-ethyl-4-methyl-hex-4-enoic acid Openeye Name: (E,2S)-6-(6-cyclopropyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-ethyl-4-methyl-hex-4-enoic acid CAS Name: (E,2S)-6-(6-cyclopropyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-ethyl-4-methyl-4-hexenoic acid IUPAC Name: (E,2S)-6-(6-cyclopropyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-ethyl-4-methylhex-4-enoic acid Traditional Name: (E,2S)-6-(6-cyclopropyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-2-ethyl-4-methyl-hex-4-enoic acid Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=CCC1=C(C2=C(COC2=O)C(=C1C3CC3)C)O)C)C(=O)O

Isomeric SMILES

CC[C@@H](C/C(=C/CC1=C(C2=C(COC2=O)C(=C1C3CC3)C)O)/C)C(=O)O

InChI

InChI=1S/C21H26O5/c1-4-13(20(23)24)9-11(2)5-8-15-17(14-6-7-14)12(3)16-10-26-21(25)18(16)19(15)22/h5,13-14,22H,4,6-10H2,1-3H3,(H,23,24)/b11-5+/t13-/m0/s1