3,9-bis(dodecan-2-ylsulfanyl)-2,10-dimethyl-undecanedioic acid

Systemtic Name: 3,9-bis(dodecan-2-ylsulfanyl)-2,10-dimethyl-undecanedioic acid Openeye Name: 2,10-dimethyl-3,9-bis(1-methylundecylsulfanyl)undecanedioic acid CAS Name: 3,9-bis(dodecan-2-ylthio)-2,10-dimethylundecanedioic acid IUPAC Name: 3,9-bis(dodecan-2-ylsulfanyl)-2,10-dimethylundecanedioic acid Traditional Name: 2,10-dimethyl-3,9-bis(1-methylundecylthio)undecanedioic acid Formula: C37H72O4S2 MolecularWeight: 645.09518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC(CCCCCC(C(C)C(=O)O)SC(C)CCCCCCCCCC)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(C)SC(CCCCCC(C(C)C(=O)O)SC(C)CCCCCCCCCC)C(C)C(=O)O

InChI

InChI=1S/C37H72O4S2/c1-7-9-11-13-15-17-19-22-26-30(3)42-34(32(5)36(38)39)28-24-21-25-29-35(33(6)37(40)41)43-31(4)27-23-20-18-16-14-12-10-8-2/h30-35H,7-29H2,1-6H3,(H,38,39)(H,40,41)