3-[3-(diphenylmethyl)oxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(diphenylmethyl)oxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylpropanoic acid Openeye Name: 3-[3-benzhydryloxy-2-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(diphenylmethyl)oxy-2-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]propanoic acid IUPAC Name: 3-[3-benzhydryloxy-2-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylpropanoic acid Traditional Name: 3-[[3-benzhydryloxy-2-hydroxy-3-keto-1-[2-(8-phenyloctyl)phenyl]propyl]thio]propionic acid Formula: C39H44O5S MolecularWeight: 624.82866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)O)SCCC(=O)O

InChI

InChI=1S/C39H44O5S/c40-35(41)28-29-45-38(36(42)39(43)44-37(32-23-12-6-13-24-32)33-25-14-7-15-26-33)34-27-17-16-22-31(34)21-11-4-2-1-3-8-18-30-19-9-5-10-20-30/h5-7,9-10,12-17,19-20,22-27,36-38,42H,1-4,8,11,18,21,28-29H2,(H,40,41)