4-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanylbutanoic acid Openeye Name: 4-[1-(2-dodecylphenyl)-2-methoxy-2-oxo-ethyl]sulfanylbutanoic acid CAS Name: 4-[[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]thio]butanoic acid IUPAC Name: 4-[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]sulfanylbutanoic acid Traditional Name: 4-[[2-keto-1-(2-laurylphenyl)-2-methoxy-ethyl]thio]butyric acid Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SCCCC(=O)O

InChI

InChI=1S/C25H40O4S/c1-3-4-5-6-7-8-9-10-11-12-16-21-17-13-14-18-22(21)24(25(28)29-2)30-20-15-19-23(26)27/h13-14,17-18,24H,3-12,15-16,19-20H2,1-2H3,(H,26,27)