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

Systemtic Name: 4-[3-(4-heptylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-prop-2-ynyl]sulfanylbutanoic acid Openeye Name: 4-[3-(4-heptylphenyl)-1-(4-hydroxy-4-oxo-butyl)sulfanyl-prop-2-ynyl]sulfanylbutanoic acid CAS Name: 4-[[3-(4-heptylphenyl)-1-[(4-hydroxy-4-oxobutyl)thio]prop-2-ynyl]thio]butanoic acid IUPAC Name: 4-[3-(4-heptylphenyl)-1-(4-hydroxy-4-oxobutyl)sulfanylprop-2-ynyl]sulfanylbutanoic acid Traditional Name: 4-[[3-(4-heptylphenyl)-1-[(4-hydroxy-4-keto-butyl)thio]prop-2-ynyl]thio]butyric acid Formula: C24H34O4S2 MolecularWeight: 450.65436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C24H34O4S2/c1-2-3-4-5-6-9-20-12-14-21(15-13-20)16-17-24(29-18-7-10-22(25)26)30-19-8-11-23(27)28/h12-15,24H,2-11,18-19H2,1H3,(H,25,26)(H,27,28)