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

Systemtic Name: 3-[1-(2-dodecylphenyl)-3-methoxy-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[1-(2-dodecylphenyl)-3-methoxy-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-dodecylphenyl)-3-methoxy-3-oxopropyl]thio]propanoic acid IUPAC Name: 3-[1-(2-dodecylphenyl)-3-methoxy-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-keto-1-(2-laurylphenyl)-3-methoxy-propyl]thio]propionic acid Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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