2-methyl-2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate

Systemtic Name: 2-methyl-2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate Openeye Name: 2-methyl-2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate CAS Name: 2-methyl-2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate IUPAC Name: 2-methyl-2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate Traditional Name: 2-[4-[2-(4-mesylphenyl)ethoxy]benzyl]-2-methyl-butyrate Formula: C21H25O5S- MolecularWeight: 389.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)S(=O)(=O)C)C(=O)[O-]

Isomeric SMILES

CCC(C)(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)S(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C21H26O5S/c1-4-21(2,20(22)23)15-17-5-9-18(10-6-17)26-14-13-16-7-11-19(12-8-16)27(3,24)25/h5-12H,4,13-15H2,1-3H3,(H,22,23)/p-1