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

Systemtic Name: 4-[3-(4-decylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-prop-2-ynyl]sulfanylbutanoic acid Openeye Name: 4-[3-(4-decylphenyl)-1-(4-hydroxy-4-oxo-butyl)sulfanyl-prop-2-ynyl]sulfanylbutanoic acid CAS Name: 4-[[3-(4-decylphenyl)-1-[(4-hydroxy-4-oxobutyl)thio]prop-2-ynyl]thio]butanoic acid IUPAC Name: 4-[3-(4-decylphenyl)-1-(4-hydroxy-4-oxobutyl)sulfanylprop-2-ynyl]sulfanylbutanoic acid Traditional Name: 4-[[3-(4-decylphenyl)-1-[(4-hydroxy-4-keto-butyl)thio]prop-2-ynyl]thio]butyric acid Formula: C27H40O4S2 MolecularWeight: 492.7341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C#CC(SCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C27H40O4S2/c1-2-3-4-5-6-7-8-9-12-23-15-17-24(18-16-23)19-20-27(32-21-10-13-25(28)29)33-22-11-14-26(30)31/h15-18,27H,2-14,21-22H2,1H3,(H,28,29)(H,30,31)