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

Systemtic Name: 4-[3-(4-octylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-prop-2-ynyl]sulfanylbutanoic acid Openeye Name: 4-[1-(4-hydroxy-4-oxo-butyl)sulfanyl-3-(4-octylphenyl)prop-2-ynyl]sulfanylbutanoic acid CAS Name: 4-[[1-[(4-hydroxy-4-oxobutyl)thio]-3-(4-octylphenyl)prop-2-ynyl]thio]butanoic acid IUPAC Name: 4-[1-(4-hydroxy-4-oxobutyl)sulfanyl-3-(4-octylphenyl)prop-2-ynyl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(4-hydroxy-4-keto-butyl)thio]-3-(4-octylphenyl)prop-2-ynyl]thio]butyric acid Formula: C25H36O4S2 MolecularWeight: 464.68094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C25H36O4S2/c1-2-3-4-5-6-7-10-21-13-15-22(16-14-21)17-18-25(30-19-8-11-23(26)27)31-20-9-12-24(28)29/h13-16,25H,2-12,19-20H2,1H3,(H,26,27)(H,28,29)