2-methyl-2-octylsulfonyl-3-phenyl-propanoic acid

Systemtic Name: 2-methyl-2-octylsulfonyl-3-phenyl-propanoic acid Openeye Name: 2-methyl-2-octylsulfonyl-3-phenyl-propanoic acid CAS Name: 2-methyl-2-octylsulfonyl-3-phenylpropanoic acid IUPAC Name: 2-methyl-2-octylsulfonyl-3-phenylpropanoic acid Traditional Name: 2-methyl-2-octylsulfonyl-3-phenyl-propionic acid Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C(C)(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)C(C)(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H28O4S/c1-3-4-5-6-7-11-14-23(21,22)18(2,17(19)20)15-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,19,20)