(Z)-6-[4-(2,2-dimethylpropanethioyloxy)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-[4-(2,2-dimethylpropanethioyloxy)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[4-(2,2-dimethylpropanethioyloxy)-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[4-(2,2-dimethyl-1-sulfanylidenepropoxy)-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[4-(2,2-dimethylpropanethioyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-[4-(2,2-dimethylpropanethioyloxy)-3-keto-6-methoxy-7-methyl-phthalan-5-yl]-4-methyl-hex-4-enoic acid Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=S)C(C)(C)C)CC=C(C)CCC(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28O6S/c1-12(8-10-16(23)24)7-9-14-18(26-6)13(2)15-11-27-20(25)17(15)19(14)28-21(29)22(3,4)5/h7H,8-11H2,1-6H3,(H,23,24)/b12-7-