4-[1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-3-phenyl-prop-2-ynyl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-3-phenyl-prop-2-ynyl]sulfanylbutanoic acid Openeye Name: 4-[1-(4-hydroxy-4-oxo-butyl)sulfanyl-3-phenyl-prop-2-ynyl]sulfanylbutanoic acid CAS Name: 4-[[1-[(4-hydroxy-4-oxobutyl)thio]-3-phenylprop-2-ynyl]thio]butanoic acid IUPAC Name: 4-[1-(4-hydroxy-4-oxobutyl)sulfanyl-3-phenylprop-2-ynyl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(4-hydroxy-4-keto-butyl)thio]-3-phenyl-prop-2-ynyl]thio]butyric acid Formula: C17H20O4S2 MolecularWeight: 352.4683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C17H20O4S2/c18-15(19)8-4-12-22-17(23-13-5-9-16(20)21)11-10-14-6-2-1-3-7-14/h1-3,6-7,17H,4-5,8-9,12-13H2,(H,18,19)(H,20,21)