3-[2-propyl-2-(triphenylmethyl)sulfanyl-1,3-dioxan-5-yl]propanoic acid

Systemtic Name: 3-[2-propyl-2-(triphenylmethyl)sulfanyl-1,3-dioxan-5-yl]propanoic acid Openeye Name: 3-(2-propyl-2-tritylsulfanyl-1,3-dioxan-5-yl)propanoic acid CAS Name: 3-[2-propyl-2-[(triphenylmethyl)thio]-1,3-dioxan-5-yl]propanoic acid IUPAC Name: 3-(2-propyl-2-tritylsulfanyl-1,3-dioxan-5-yl)propanoic acid Traditional Name: 3-[2-propyl-2-(tritylthio)-1,3-dioxan-5-yl]propionic acid Formula: C29H32O4S MolecularWeight: 476.62698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(OCC(CO1)CCC(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1(OCC(CO1)CCC(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H32O4S/c1-2-20-28(32-21-23(22-33-28)18-19-27(30)31)34-29(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,23H,2,18-22H2,1H3,(H,30,31)