3-[1-(2-dodecylphenyl)-3-methoxy-2-methyl-3-oxidanylidene-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(2-dodecylphenyl)-3-methoxy-2-methyl-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[1-(2-dodecylphenyl)-3-methoxy-2-methyl-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-dodecylphenyl)-3-methoxy-2-methyl-3-oxopropyl]thio]propanoic acid IUPAC Name: 3-[1-(2-dodecylphenyl)-3-methoxy-2-methyl-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-keto-1-(2-laurylphenyl)-3-methoxy-2-methyl-propyl]thio]propionic acid Formula: C26H42O4S MolecularWeight: 450.67428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4S/c1-4-5-6-7-8-9-10-11-12-13-16-22-17-14-15-18-23(22)25(21(2)26(29)30-3)31-20-19-24(27)28/h14-15,17-18,21,25H,4-13,16,19-20H2,1-3H3,(H,27,28)