5-(4-methylphenyl)-2-oxidanyl-2-phenyl-3-sulfonyl-pentanoic acid

Systemtic Name: 5-(4-methylphenyl)-2-oxidanyl-2-phenyl-3-sulfonyl-pentanoic acid Openeye Name: 2-hydroxy-2-phenyl-5-(p-tolyl)-3-sulfonyl-pentanoic acid CAS Name: 2-hydroxy-5-(4-methylphenyl)-2-phenyl-3-sulfonylpentanoic acid IUPAC Name: 2-hydroxy-5-(4-methylphenyl)-2-phenyl-3-sulfonylpentanoic acid Traditional Name: 2-hydroxy-2-phenyl-5-(p-tolyl)-3-sulfonyl-valeric acid Formula: C18H18O5S MolecularWeight: 346.39752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=S(=O)=O)C(C2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=S(=O)=O)C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C18H18O5S/c1-13-7-9-14(10-8-13)11-12-16(24(22)23)18(21,17(19)20)15-5-3-2-4-6-15/h2-10,21H,11-12H2,1H3,(H,19,20)