(Z)-4-chloranyl-6-(6-methoxy-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-methoxy-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-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-3-methyl-2-methylsulfonyl-hex-4-enoic acid CAS Name: (Z)-4-chloro-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-3-methyl-2-methylsulfonyl-4-hexenoic acid IUPAC Name: (Z)-4-chloro-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-3-methyl-2-methylsulfonylhex-4-enoic acid Traditional Name: (Z)-4-chloro-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-2-mesyl-3-methyl-hex-4-enoic acid Formula: C18H21ClO8S MolecularWeight: 432.87254

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClO8S/c1-8-11-7-27-18(23)13(11)14(20)10(15(8)26-3)5-6-12(19)9(2)16(17(21)22)28(4,24)25/h6,9,16,20H,5,7H2,1-4H3,(H,21,22)/b12-6-