2-[(E)-4-[6-methoxy-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-methoxy-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-methoxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid CAS Name: 2-[(E)-4-[6-methoxy-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-methoxy-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-(3-keto-6-methoxy-7-methyl-4-tosyloxy-phthalan-5-yl)-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid Formula: C27H30O8S MolecularWeight: 514.5873

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)OC)CC=C(C)C4CCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)OC)C/C=C(\C)/C4CCCC4C(=O)O

InChI

InChI=1S/C27H30O8S/c1-15-8-11-18(12-9-15)36(31,32)35-25-21(13-10-16(2)19-6-5-7-20(19)26(28)29)24(33-4)17(3)22-14-34-27(30)23(22)25/h8-12,19-20H,5-7,13-14H2,1-4H3,(H,28,29)/b16-10+