S-[(2S)-2-heptanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] heptanethioate

Systemtic Name: S-[(2S)-2-heptanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] heptanethioate Openeye Name: S-[(2S)-2-heptanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] heptanethioate CAS Name: heptanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-(1-oxoheptylthio)propyl] ester IUPAC Name: S-[(2S)-2-heptanoylsulfanyl-3-[(4-methoxyphenyl)-diphenylmethoxy]propyl] heptanethioate Traditional Name: heptanethioic acid S-[(2S)-2-(enanthylthio)-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] ester Formula: C37H48O4S2 MolecularWeight: 620.90462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H48O4S2/c1-4-6-8-16-22-35(38)42-29-34(43-36(39)23-17-9-7-5-2)28-41-37(30-18-12-10-13-19-30,31-20-14-11-15-21-31)32-24-26-33(40-3)27-25-32/h10-15,18-21,24-27,34H,4-9,16-17,22-23,28-29H2,1-3H3/t34-/m0/s1