3-[(1R)-1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[(1R)-1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[(1R)-1-(2-dodecylphenyl)-2-hydroxy-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[(1R)-1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[(1R)-1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[(1R)-2-hydroxy-2-keto-1-(2-laurylphenyl)ethyl]thio]propionic acid Formula: C23H36O4S MolecularWeight: 408.59454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[C@H](C(=O)O)SCCC(=O)O

InChI

InChI=1S/C23H36O4S/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)22(23(26)27)28-18-17-21(24)25/h12-13,15-16,22H,2-11,14,17-18H2,1H3,(H,24,25)(H,26,27)/t22-/m1/s1