S-[(2R)-1-(3,3-dimethylbutoxy)-3-[(4-methoxyphenyl)-diphenyl-methoxy]propan-2-yl] decanethioate

Systemtic Name: S-[(2R)-1-(3,3-dimethylbutoxy)-3-[(4-methoxyphenyl)-diphenyl-methoxy]propan-2-yl] decanethioate Openeye Name: S-[(1R)-1-(3,3-dimethylbutoxymethyl)-2-[(4-methoxyphenyl)-diphenyl-methoxy]ethyl] decanethioate CAS Name: decanethioic acid S-[(2R)-1-(3,3-dimethylbutoxy)-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl] ester IUPAC Name: S-[(2R)-1-(3,3-dimethylbutoxy)-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl] decanethioate Traditional Name: decanethioic acid S-[(1R)-1-(3,3-dimethylbutoxymethyl)-2-[(4-methoxyphenyl)-diphenyl-methoxy]ethyl] ester Formula: C39H54O4S MolecularWeight: 618.90866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)SC(COCCC(C)(C)C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCCC(=O)S[C@H](COCCC(C)(C)C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C39H54O4S/c1-6-7-8-9-10-11-18-23-37(40)44-36(30-42-29-28-38(2,3)4)31-43-39(32-19-14-12-15-20-32,33-21-16-13-17-22-33)34-24-26-35(41-5)27-25-34/h12-17,19-22,24-27,36H,6-11,18,23,28-31H2,1-5H3/t36-/m1/s1