2-methyl-3-[2-[[4-(4-phenylhexan-2-yl)phenyl]methoxy]ethylsulfanyl]propanoic acid

Systemtic Name: 2-methyl-3-[2-[[4-(4-phenylhexan-2-yl)phenyl]methoxy]ethylsulfanyl]propanoic acid Openeye Name: 2-methyl-3-[2-[[4-(1-methyl-3-phenyl-pentyl)phenyl]methoxy]ethylsulfanyl]propanoic acid CAS Name: 2-methyl-3-[2-[[4-(4-phenylhexan-2-yl)phenyl]methoxy]ethylthio]propanoic acid IUPAC Name: 2-methyl-3-[2-[[4-(4-phenylhexan-2-yl)phenyl]methoxy]ethylsulfanyl]propanoic acid Traditional Name: 2-methyl-3-[2-[4-(1-methyl-3-phenyl-pentyl)benzyl]oxyethylthio]propionic acid Formula: C25H34O3S MolecularWeight: 414.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)COCCSCC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)COCCSCC(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C25H34O3S/c1-4-22(24-8-6-5-7-9-24)16-19(2)23-12-10-21(11-13-23)17-28-14-15-29-18-20(3)25(26)27/h5-13,19-20,22H,4,14-18H2,1-3H3,(H,26,27)