methyl (E)-6-[6-cyclopropyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoate

Systemtic Name: methyl (E)-6-[6-cyclopropyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoate Openeye Name: methyl (E)-6-[6-cyclopropyl-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoate CAS Name: (E)-6-[6-cyclopropyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[6-cyclopropyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate Traditional Name: (E)-6-(6-cyclopropyl-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid methyl ester Formula: C27H30O7S MolecularWeight: 498.5879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)C4CC4)CC=C(C)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)C4CC4)C/C=C(\C)/CCC(=O)OC

InChI

InChI=1S/C27H30O7S/c1-16-5-11-20(12-6-16)35(30,31)34-26-21(13-7-17(2)8-14-23(28)32-4)24(19-9-10-19)18(3)22-15-33-27(29)25(22)26/h5-7,11-12,19H,8-10,13-15H2,1-4H3/b17-7+