(E)-8-(2,2-diethoxyethylsulfanyl)-10-phenylsulfanyl-dec-9-en-5-ynoic acid

Systemtic Name: (E)-8-(2,2-diethoxyethylsulfanyl)-10-phenylsulfanyl-dec-9-en-5-ynoic acid Openeye Name: (E)-8-(2,2-diethoxyethylsulfanyl)-10-phenylsulfanyl-dec-9-en-5-ynoic acid CAS Name: (E)-8-(2,2-diethoxyethylthio)-10-(phenylthio)dec-9-en-5-ynoic acid IUPAC Name: (E)-8-(2,2-diethoxyethylsulfanyl)-10-phenylsulfanyldec-9-en-5-ynoic acid Traditional Name: (E)-8-(2,2-diethoxyethylthio)-10-(phenylthio)dec-9-en-5-ynoic acid Formula: C22H30O4S2 MolecularWeight: 422.6012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CSC(CC#CCCCC(=O)O)C=CSC1=CC=CC=C1)OCC

Isomeric SMILES

CCOC(CSC(CC#CCCCC(=O)O)/C=C/SC1=CC=CC=C1)OCC

InChI

InChI=1S/C22H30O4S2/c1-3-25-22(26-4-2)18-28-20(14-8-5-6-11-15-21(23)24)16-17-27-19-12-9-7-10-13-19/h7,9-10,12-13,16-17,20,22H,3-4,6,11,14-15,18H2,1-2H3,(H,23,24)/b17-16+