3-[(4-propan-2-ylphenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(4-propan-2-ylphenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(4-isopropylphenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(4-propan-2-ylphenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(4-propan-2-ylphenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(4-isopropylbenzyl)sulfonylpropionic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C13H18O4S/c1-10(2)12-5-3-11(4-6-12)9-18(16,17)8-7-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)