2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(4-phenylphenyl)propanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(4-phenylphenyl)propionic acid Formula: C26H24O5S MolecularWeight: 448.53076

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H24O5S/c1-3-4-18-31-23-14-16-24(17-15-23)32(29,30)26(2,25(27)28)19-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-17H,18-19H2,1-2H3,(H,27,28)