(E,2S)-6-(4-carboxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2,4-dimethyl-hex-4-enoate

Systemtic Name: (E,2S)-6-(4-carboxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2,4-dimethyl-hex-4-enoate Openeye Name: (E,2S)-6-(4-carboxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2,4-dimethyl-hex-4-enoate CAS Name: (E,2S)-6-(4-carboxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2,4-dimethyl-4-hexenoate IUPAC Name: (E,2S)-6-(4-carboxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2,4-dimethylhex-4-enoate Traditional Name: (E,2S)-6-(4-carboxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-2,4-dimethyl-hex-4-enoate Formula: C19H21O7- MolecularWeight: 361.36584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CC(C)C(=O)[O-])C(=O)O

Isomeric SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/C[C@H](C)C(=O)[O-])C(=O)O

InChI

InChI=1S/C19H22O7/c1-9(7-10(2)17(20)21)5-6-12-14(18(22)23)15-13(8-26-19(15)24)11(3)16(12)25-4/h5,10H,6-8H2,1-4H3,(H,20,21)(H,22,23)/p-1/b9-5+/t10-/m0/s1