2-(2-dodecylphenyl)-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-ethanoic acid

Systemtic Name: 2-(2-dodecylphenyl)-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-ethanoic acid Openeye Name: 2-(2-dodecylphenyl)-2-(3-methoxy-3-oxo-propyl)sulfanyl-acetic acid CAS Name: 2-(2-dodecylphenyl)-2-[(3-methoxy-3-oxopropyl)thio]acetic acid IUPAC Name: 2-(2-dodecylphenyl)-2-(3-methoxy-3-oxopropyl)sulfanylacetic acid Traditional Name: 2-[(3-keto-3-methoxy-propyl)thio]-2-(2-laurylphenyl)acetic acid Formula: C24H38O4S MolecularWeight: 422.62112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O4S/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-14-17-21(20)23(24(26)27)29-19-18-22(25)28-2/h13-14,16-17,23H,3-12,15,18-19H2,1-2H3,(H,26,27)