S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-octanoylsulfanyl-propyl] octanethioate

Systemtic Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-octanoylsulfanyl-propyl] octanethioate Openeye Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-octanoylsulfanyl-propyl] octanethioate CAS Name: octanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-(1-oxooctylthio)propyl] ester IUPAC Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-octanoylsulfanylpropyl] octanethioate Traditional Name: octanethioic acid S-[(2S)-2-(caprylylthio)-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] ester Formula: C39H52O4S2 MolecularWeight: 648.95778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)SCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C39H52O4S2/c1-4-6-8-10-18-24-37(40)44-31-36(45-38(41)25-19-11-9-7-5-2)30-43-39(32-20-14-12-15-21-32,33-22-16-13-17-23-33)34-26-28-35(42-3)29-27-34/h12-17,20-23,26-29,36H,4-11,18-19,24-25,30-31H2,1-3H3/t36-/m0/s1