3-[1-(2-dodecylphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(2-dodecylphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-tert-butoxy-1-(2-dodecylphenyl)-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-dodecylphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]thio]propanoic acid IUPAC Name: 3-[1-(2-dodecylphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-tert-butoxy-3-keto-1-(2-laurylphenyl)propyl]thio]propionic acid Formula: C28H46O4S MolecularWeight: 478.72744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4S/c1-5-6-7-8-9-10-11-12-13-14-17-23-18-15-16-19-24(23)25(33-21-20-26(29)30)22-27(31)32-28(2,3)4/h15-16,18-19,25H,5-14,17,20-22H2,1-4H3,(H,29,30)