2-[6-fluoranyl-2-methyl-3-(4-methylsulfonylphenyl)-3H-inden-1-yl]prop-2-enoic acid

Systemtic Name: 2-[6-fluoranyl-2-methyl-3-(4-methylsulfonylphenyl)-3H-inden-1-yl]prop-2-enoic acid Openeye Name: 2-[6-fluoro-2-methyl-3-(4-methylsulfonylphenyl)-3H-inden-1-yl]prop-2-enoic acid CAS Name: 2-[6-fluoro-2-methyl-3-(4-methylsulfonylphenyl)-3H-inden-1-yl]-2-propenoic acid IUPAC Name: 2-[6-fluoro-2-methyl-3-(4-methylsulfonylphenyl)-3H-inden-1-yl]prop-2-enoic acid Traditional Name: 2-[6-fluoro-3-(4-mesylphenyl)-2-methyl-3H-inden-1-yl]acrylic acid Formula: C20H17FO4S MolecularWeight: 372.409983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)C(=C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C1C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)C(=C)C(=O)O

InChI

InChI=1S/C20H17FO4S/c1-11-18(12(2)20(22)23)17-10-14(21)6-9-16(17)19(11)13-4-7-15(8-5-13)26(3,24)25/h4-10,19H,2H2,1,3H3,(H,22,23)