(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)sulfanyl 2-methyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl)sulfanyl 2-methyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl)sulfanyl 2-hydroxy-2-methyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 2-hydroxy-2-methyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid [(2-methoxy-2-oxo-1-phenylethyl)thio] ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl)sulfanyl 2-hydroxy-2-methyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 2-hydroxy-2-methyl-3-[2-(8-phenyloctyl)phenyl]propionic acid [(2-keto-2-methoxy-1-phenyl-ethyl)thio] ester Formula: C33H40O5S MolecularWeight: 548.7327

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)(C(=O)OSC(C3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

CC(CC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)(C(=O)OSC(C3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C33H40O5S/c1-33(36,32(35)38-39-30(31(34)37-2)28-22-13-8-14-23-28)25-29-24-16-15-21-27(29)20-12-6-4-3-5-9-17-26-18-10-7-11-19-26/h7-8,10-11,13-16,18-19,21-24,30,36H,3-6,9,12,17,20,25H2,1-2H3