phenyl (2S,3R)-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: phenyl (2S,3R)-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: phenyl (2S,3R)-2-hydroxy-3-(3-methoxy-3-oxo-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: (2S,3R)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid phenyl ester IUPAC Name: phenyl (2S,3R)-2-hydroxy-3-(3-methoxy-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: (2S,3R)-2-hydroxy-3-[(3-keto-3-methoxy-propyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid phenyl ester Formula: C33H40O5S MolecularWeight: 548.7327

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)OC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)CCS[C@H](C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)[C@H](C(=O)OC3=CC=CC=C3)O

InChI

InChI=1S/C33H40O5S/c1-37-30(34)24-25-39-32(31(35)33(36)38-28-21-12-7-13-22-28)29-23-15-14-20-27(29)19-11-5-3-2-4-8-16-26-17-9-6-10-18-26/h6-7,9-10,12-15,17-18,20-23,31-32,35H,2-5,8,11,16,19,24-25H2,1H3/t31-,32-/m1/s1