3-(4-butoxyphenyl)-2-[4-(furan-2-yl)phenyl]sulfonyl-2-methyl-propanoic acid

Systemtic Name: 3-(4-butoxyphenyl)-2-[4-(furan-2-yl)phenyl]sulfonyl-2-methyl-propanoic acid Openeye Name: 3-(4-butoxyphenyl)-2-[4-(2-furyl)phenyl]sulfonyl-2-methyl-propanoic acid CAS Name: 3-(4-butoxyphenyl)-2-[4-(2-furanyl)phenyl]sulfonyl-2-methylpropanoic acid IUPAC Name: 3-(4-butoxyphenyl)-2-[4-(furan-2-yl)phenyl]sulfonyl-2-methylpropanoic acid Traditional Name: 3-(4-butoxyphenyl)-2-[4-(2-furyl)phenyl]sulfonyl-2-methyl-propionic acid Formula: C24H26O6S MolecularWeight: 442.52464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CO3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CO3

InChI

InChI=1S/C24H26O6S/c1-3-4-15-29-20-11-7-18(8-12-20)17-24(2,23(25)26)31(27,28)21-13-9-19(10-14-21)22-6-5-16-30-22/h5-14,16H,3-4,15,17H2,1-2H3,(H,25,26)