S-[(2S)-2-hexanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] hexanethioate

Systemtic Name: S-[(2S)-2-hexanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] hexanethioate Openeye Name: S-[(2S)-2-hexanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] hexanethioate CAS Name: hexanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-(1-oxohexylthio)propyl] ester IUPAC Name: S-[(2S)-2-hexanoylsulfanyl-3-[(4-methoxyphenyl)-diphenylmethoxy]propyl] hexanethioate Traditional Name: hexanethioic acid S-[(2S)-2-(caproylthio)-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] ester Formula: C35H44O4S2 MolecularWeight: 592.85146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)SC[C@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)CCCCC

InChI

InChI=1S/C35H44O4S2/c1-4-6-10-20-33(36)40-27-32(41-34(37)21-11-7-5-2)26-39-35(28-16-12-8-13-17-28,29-18-14-9-15-19-29)30-22-24-31(38-3)25-23-30/h8-9,12-19,22-25,32H,4-7,10-11,20-21,26-27H2,1-3H3/t32-/m0/s1