2-[4-(3-methylbutylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-methylbutylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-(4-isopentylsulfonylphenyl)acetic acid CAS Name: 2-[4-(3-methylbutylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[4-(3-methylbutylsulfonyl)phenyl]acetic acid Traditional Name: 2-(4-isoamylsulfonylphenyl)acetic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)O

InChI

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