methyl 3-[1-(2-dodecylphenyl)-2,3-bis(oxidanyl)propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(2-dodecylphenyl)-2,3-bis(oxidanyl)propyl]sulfanylpropanoate Openeye Name: methyl 3-[1-(2-dodecylphenyl)-2,3-dihydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[1-(2-dodecylphenyl)-2,3-dihydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-dodecylphenyl)-2,3-dihydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[2,3-dihydroxy-1-(2-laurylphenyl)propyl]thio]propionic acid methyl ester Formula: C25H42O4S MolecularWeight: 438.66358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42O4S/c1-3-4-5-6-7-8-9-10-11-12-15-21-16-13-14-17-22(21)25(23(27)20-26)30-19-18-24(28)29-2/h13-14,16-17,23,25-27H,3-12,15,18-20H2,1-2H3