3-[2,3-bis(12-phenyldodecanoyloxy)propylsulfanyl]propanoic acid

Systemtic Name: 3-[2,3-bis(12-phenyldodecanoyloxy)propylsulfanyl]propanoic acid Openeye Name: 3-[2,3-bis(12-phenyldodecanoyloxy)propylsulfanyl]propanoic acid CAS Name: 3-[2,3-bis(1-oxo-12-phenyldodecoxy)propylthio]propanoic acid IUPAC Name: 3-[2,3-bis(12-phenyldodecanoyloxy)propylsulfanyl]propanoic acid Traditional Name: 3-[2,3-bis(12-phenyldodecanoyloxy)propylthio]propionic acid Formula: C42H64O6S MolecularWeight: 697.01896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCCCC(=O)OCC(CSCCC(=O)O)OC(=O)CCCCCCCCCCCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCCCC(=O)OCC(CSCCC(=O)O)OC(=O)CCCCCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C42H64O6S/c43-40(44)33-34-49-36-39(48-42(46)32-24-14-10-6-2-4-8-12-18-26-38-29-21-16-22-30-38)35-47-41(45)31-23-13-9-5-1-3-7-11-17-25-37-27-19-15-20-28-37/h15-16,19-22,27-30,39H,1-14,17-18,23-26,31-36H2,(H,43,44)