4-[3-phenyl-2-(sulfinylmethyl)phenyl]butanoic acid

Systemtic Name: 4-[3-phenyl-2-(sulfinylmethyl)phenyl]butanoic acid Openeye Name: 4-[3-phenyl-2-(sulfinylmethyl)phenyl]butanoic acid CAS Name: 4-[3-phenyl-2-(sulfinylmethyl)phenyl]butanoic acid IUPAC Name: 4-[3-phenyl-2-(sulfinylmethyl)phenyl]butanoic acid Traditional Name: 4-[3-phenyl-2-(sulfinylmethyl)phenyl]butyric acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)CCCC(=O)O)C=S=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)CCCC(=O)O)C=S=O

InChI

InChI=1S/C17H16O3S/c18-17(19)11-5-9-14-8-4-10-15(16(14)12-21-20)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11H2,(H,18,19)