S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-nonanoylsulfanyl-propyl] nonanethioate

Systemtic Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-nonanoylsulfanyl-propyl] nonanethioate Openeye Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-nonanoylsulfanyl-propyl] nonanethioate CAS Name: nonanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-(1-oxononylthio)propyl] ester IUPAC Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-nonanoylsulfanylpropyl] nonanethioate Traditional Name: nonanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-(pelargonylthio)propyl] ester Formula: C41H56O4S2 MolecularWeight: 677.01094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H56O4S2/c1-4-6-8-10-12-20-26-39(42)46-33-38(47-40(43)27-21-13-11-9-7-5-2)32-45-41(34-22-16-14-17-23-34,35-24-18-15-19-25-35)36-28-30-37(44-3)31-29-36/h14-19,22-25,28-31,38H,4-13,20-21,26-27,32-33H2,1-3H3/t38-/m0/s1