methyl 3-[3-[3-cyclopentyl-2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-[3-cyclopentyl-2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-[2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-cyclopentyl-phenyl]-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-cyclopentylphenyl]-2-hydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-cyclopentylphenyl]-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-[2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-cyclopentyl-phenyl]-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C32H44O7S MolecularWeight: 572.75256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=CC=C2CC(CSCCC(=O)OC)O)C3CCCC3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=CC=C2CC(CSCCC(=O)OC)O)C3CCCC3

InChI

InChI=1S/C32H44O7S/c1-4-9-28-29(15-14-26(22(2)33)31(28)36)38-17-8-18-39-32-24(12-7-13-27(32)23-10-5-6-11-23)20-25(34)21-40-19-16-30(35)37-3/h7,12-15,23,25,34,36H,4-6,8-11,16-21H2,1-3H3