methyl 4-[[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-hydroxy-3-keto-3-methoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]benzoic acid methyl ester Formula: C33H40O5S MolecularWeight: 548.7327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)O

InChI

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