2-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanylbutanedioic acid Openeye Name: 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-keto-1-(2-laurylphenyl)-2-methoxy-ethyl]thio]succinic acid Formula: C25H38O6S MolecularWeight: 466.63062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O6S/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)23(25(30)31-2)32-21(24(28)29)18-22(26)27/h13-14,16-17,21,23H,3-12,15,18H2,1-2H3,(H,26,27)(H,28,29)