2-[4-[3-[4-ethyl-2-(phenylcarbonyl)phenoxy]hexoxy]-2-methyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[3-[4-ethyl-2-(phenylcarbonyl)phenoxy]hexoxy]-2-methyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[3-(2-benzoyl-4-ethyl-phenoxy)hexoxy]-2-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[3-(2-benzoyl-4-ethylphenoxy)hexoxy]-2-methylphenyl]thio]acetic acid IUPAC Name: 2-[4-[3-(2-benzoyl-4-ethylphenoxy)hexoxy]-2-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[4-[3-(2-benzoyl-4-ethyl-phenoxy)hexoxy]-2-methyl-phenyl]thio]acetic acid Formula: C30H34O5S MolecularWeight: 506.65296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC1=CC(=C(C=C1)SCC(=O)O)C)OC2=C(C=C(C=C2)CC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCOC1=CC(=C(C=C1)SCC(=O)O)C)OC2=C(C=C(C=C2)CC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H34O5S/c1-4-9-24(16-17-34-25-13-15-28(21(3)18-25)36-20-29(31)32)35-27-14-12-22(5-2)19-26(27)30(33)23-10-7-6-8-11-23/h6-8,10-15,18-19,24H,4-5,9,16-17,20H2,1-3H3,(H,31,32)