2-ethanoyl-3-[4-(2-phenylmethoxyethylsulfonyl)phenyl]butanoate

Systemtic Name: 2-ethanoyl-3-[4-(2-phenylmethoxyethylsulfonyl)phenyl]butanoate Openeye Name: 2-acetyl-3-[4-(2-benzyloxyethylsulfonyl)phenyl]butanoate CAS Name: 2-acetyl-3-[4-(2-phenylmethoxyethylsulfonyl)phenyl]butanoate IUPAC Name: 2-acetyl-3-[4-(2-phenylmethoxyethylsulfonyl)phenyl]butanoate Traditional Name: 2-acetyl-3-[4-(2-benzoxyethylsulfonyl)phenyl]butyrate Formula: C21H23O6S- MolecularWeight: 403.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)CCOCC2=CC=CC=C2)C(C(=O)C)C(=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)CCOCC2=CC=CC=C2)C(C(=O)C)C(=O)[O-]

InChI

InChI=1S/C21H24O6S/c1-15(20(16(2)22)21(23)24)18-8-10-19(11-9-18)28(25,26)13-12-27-14-17-6-4-3-5-7-17/h3-11,15,20H,12-14H2,1-2H3,(H,23,24)/p-1