2-[(4-methoxyphenyl)sulfanylmethyl]-3-octylsulfanyl-propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-3-octylsulfanyl-propanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-3-octylsulfanyl-propanoic acid CAS Name: 2-[[(4-methoxyphenyl)thio]methyl]-3-(octylthio)propanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-3-octylsulfanylpropanoic acid Traditional Name: 2-[[(4-methoxyphenyl)thio]methyl]-3-(octylthio)propionic acid Formula: C19H30O3S2 MolecularWeight: 370.5697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(CSC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CCCCCCCCSCC(CSC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C19H30O3S2/c1-3-4-5-6-7-8-13-23-14-16(19(20)21)15-24-18-11-9-17(22-2)10-12-18/h9-12,16H,3-8,13-15H2,1-2H3,(H,20,21)