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

Systemtic Name: (Z)-6-(4-heptanethioyloxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-(4-heptanethioyloxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[6-methoxy-7-methyl-3-oxo-4-(1-sulfanylideneheptoxy)-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-(4-heptanethioyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(4-heptanethioyloxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C24H32O6S MolecularWeight: 448.57228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=S)OC1=C(C(=C(C2=C1C(=O)OC2)C)OC)CC=C(C)CCC(=O)O

Isomeric SMILES

CCCCCCC(=S)OC1=C(C(=C(C2=C1C(=O)OC2)C)OC)C/C=C(/C)\CCC(=O)O

InChI

InChI=1S/C24H32O6S/c1-5-6-7-8-9-20(31)30-23-17(12-10-15(2)11-13-19(25)26)22(28-4)16(3)18-14-29-24(27)21(18)23/h10H,5-9,11-14H2,1-4H3,(H,25,26)/b15-10-