2-[(E)-3-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl]-3-methyl-benzoic acid

Systemtic Name: 2-[(E)-3-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl]-3-methyl-benzoic acid Openeye Name: 2-[(E)-3-[6-methoxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]prop-1-enyl]-3-methyl-benzoic acid CAS Name: 2-[(E)-3-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl]-3-methylbenzoic acid IUPAC Name: 2-[(E)-3-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]prop-1-enyl]-3-methylbenzoic acid Traditional Name: 2-[(E)-3-(3-keto-6-methoxy-7-methyl-4-tosyloxy-phthalan-5-yl)prop-1-enyl]-3-methyl-benzoic acid Formula: C28H26O8S MolecularWeight: 522.56624

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=CC4=C(C=CC=C4C)C(=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/C4=C(C=CC=C4C)C(=O)O

InChI

InChI=1S/C28H26O8S/c1-16-11-13-19(14-12-16)37(32,33)36-26-22(25(34-4)18(3)23-15-35-28(31)24(23)26)10-6-8-20-17(2)7-5-9-21(20)27(29)30/h5-9,11-14H,10,15H2,1-4H3,(H,29,30)/b8-6+