methyl 3-(2-dodecylphenyl)-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-propanoate

Systemtic Name: methyl 3-(2-dodecylphenyl)-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-propanoate Openeye Name: methyl 3-(2-dodecylphenyl)-2-hydroxy-3-(3-methoxy-3-oxo-propyl)sulfanyl-propanoate CAS Name: 3-(2-dodecylphenyl)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-dodecylphenyl)-2-hydroxy-3-(3-methoxy-3-oxopropyl)sulfanylpropanoate Traditional Name: 2-hydroxy-3-[(3-keto-3-methoxy-propyl)thio]-3-(2-laurylphenyl)propionic acid methyl ester Formula: C26H42O5S MolecularWeight: 466.67368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O5S/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)25(24(28)26(29)31-3)32-20-19-23(27)30-2/h14-15,17-18,24-25,28H,4-13,16,19-20H2,1-3H3