2,2-didodecyl-3-methylsulfanyl-butanedioic acid

Systemtic Name: 2,2-didodecyl-3-methylsulfanyl-butanedioic acid Openeye Name: 2,2-didodecyl-3-methylsulfanyl-butanedioic acid CAS Name: 2,2-didodecyl-3-(methylthio)butanedioic acid IUPAC Name: 2,2-didodecyl-3-methylsulfanylbutanedioic acid Traditional Name: 2,2-dilauryl-3-(methylthio)succinic acid Formula: C29H56O4S MolecularWeight: 500.81754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(C(=O)O)SC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(C(=O)O)SC)C(=O)O

InChI

InChI=1S/C29H56O4S/c1-4-6-8-10-12-14-16-18-20-22-24-29(28(32)33,26(34-3)27(30)31)25-23-21-19-17-15-13-11-9-7-5-2/h26H,4-25H2,1-3H3,(H,30,31)(H,32,33)