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

Systemtic Name: 4-[3-(4-hexylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-prop-2-ynyl]sulfanylbutanoic acid Openeye Name: 4-[3-(4-hexylphenyl)-1-(4-hydroxy-4-oxo-butyl)sulfanyl-prop-2-ynyl]sulfanylbutanoic acid CAS Name: 4-[[3-(4-hexylphenyl)-1-[(4-hydroxy-4-oxobutyl)thio]prop-2-ynyl]thio]butanoic acid IUPAC Name: 4-[3-(4-hexylphenyl)-1-(4-hydroxy-4-oxobutyl)sulfanylprop-2-ynyl]sulfanylbutanoic acid Traditional Name: 4-[[3-(4-hexylphenyl)-1-[(4-hydroxy-4-keto-butyl)thio]prop-2-ynyl]thio]butyric acid Formula: C23H32O4S2 MolecularWeight: 436.62778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C23H32O4S2/c1-2-3-4-5-8-19-11-13-20(14-12-19)15-16-23(28-17-6-9-21(24)25)29-18-7-10-22(26)27/h11-14,23H,2-10,17-18H2,1H3,(H,24,25)(H,26,27)