(Z)-4-chloranyl-6-(6-ethynyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-3-methyl-2-methylsulfonyl-hex-4-enoic acid

Systemtic Name: (Z)-4-chloranyl-6-(6-ethynyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-3-methyl-2-methylsulfonyl-hex-4-enoic acid Openeye Name: (Z)-4-chloro-6-(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-3-methyl-2-methylsulfonyl-hex-4-enoic acid CAS Name: (Z)-4-chloro-6-(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-3-methyl-2-methylsulfonyl-4-hexenoic acid IUPAC Name: (Z)-4-chloro-6-(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-3-methyl-2-methylsulfonylhex-4-enoic acid Traditional Name: (Z)-4-chloro-6-(6-ethynyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-2-mesyl-3-methyl-hex-4-enoic acid Formula: C19H19ClO7S MolecularWeight: 426.86796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C(C)C(C(=O)O)S(=O)(=O)C)Cl)C#C

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/C(C)C(C(=O)O)S(=O)(=O)C)\Cl)C#C

InChI

InChI=1S/C19H19ClO7S/c1-5-11-9(2)13-8-27-19(24)15(13)16(21)12(11)6-7-14(20)10(3)17(18(22)23)28(4,25)26/h1,7,10,17,21H,6,8H2,2-4H3,(H,22,23)/b14-7-