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

Systemtic Name: methyl 2-[3-[3-cyclopentyl-2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-2-oxidanyl-propyl]sulfanylethanoate Openeye Name: methyl 2-[3-[2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-cyclopentyl-phenyl]-2-hydroxy-propyl]sulfanylacetate CAS Name: 2-[[3-[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-cyclopentylphenyl]-2-hydroxypropyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-cyclopentylphenyl]-2-hydroxypropyl]sulfanylacetate Traditional Name: 2-[[3-[2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-cyclopentyl-phenyl]-2-hydroxy-propyl]thio]acetic acid methyl ester Formula: C31H42O7S MolecularWeight: 558.72598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42O7S/c1-4-9-27-28(15-14-25(21(2)32)30(27)35)37-16-8-17-38-31-23(18-24(33)19-39-20-29(34)36-3)12-7-13-26(31)22-10-5-6-11-22/h7,12-15,22,24,33,35H,4-6,8-11,16-20H2,1-3H3