methyl 4-[3-phenyl-2-(sulfonylmethyl)phenyl]butanoate

Systemtic Name: methyl 4-[3-phenyl-2-(sulfonylmethyl)phenyl]butanoate Openeye Name: methyl 4-[3-phenyl-2-(sulfonylmethyl)phenyl]butanoate CAS Name: 4-[3-phenyl-2-(sulfonylmethyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-phenyl-2-(sulfonylmethyl)phenyl]butanoate Traditional Name: 4-[3-phenyl-2-(sulfonylmethyl)phenyl]butyric acid methyl ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=CC(=C1C=S(=O)=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCC1=CC=CC(=C1C=S(=O)=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O4S/c1-22-18(19)12-6-10-15-9-5-11-16(17(15)13-23(20)21)14-7-3-2-4-8-14/h2-5,7-9,11,13H,6,10,12H2,1H3