2-[(E)-4-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]but-2-en-2-yl]cyclopentane-1-carboxylic acid

Systemtic Name: 2-[(E)-4-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]but-2-en-2-yl]cyclopentane-1-carboxylic acid Openeye Name: 2-[(E)-3-[6-ethyl-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid CAS Name: 2-[(E)-4-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]but-2-en-2-yl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(E)-4-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]but-2-en-2-yl]cyclopentane-1-carboxylic acid Traditional Name: 2-[(E)-3-(6-ethyl-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid Formula: C28H32O7S MolecularWeight: 512.61448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)C3CCCC3C(=O)O)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(\C)/C3CCCC3C(=O)O)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

InChI

InChI=1S/C28H32O7S/c1-5-20-18(4)24-15-34-28(31)25(24)26(35-36(32,33)19-12-9-16(2)10-13-19)22(20)14-11-17(3)21-7-6-8-23(21)27(29)30/h9-13,21,23H,5-8,14-15H2,1-4H3,(H,29,30)/b17-11+