3-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 3-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 3-[1-(2-dodecylphenyl)-2-methoxy-2-oxo-ethyl]sulfanyl-2-methyl-propanoic acid CAS Name: 3-[[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]thio]-2-methylpropanoic acid IUPAC Name: 3-[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]sulfanyl-2-methylpropanoic acid Traditional Name: 3-[[2-keto-1-(2-laurylphenyl)-2-methoxy-ethyl]thio]-2-methyl-propionic acid Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4S/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)23(25(28)29-3)30-19-20(2)24(26)27/h14-15,17-18,20,23H,4-13,16,19H2,1-3H3,(H,26,27)