3,9-bis(6-ethyldecylsulfanyl)-2,10-dimethyl-undecanedioic acid

Systemtic Name: 3,9-bis(6-ethyldecylsulfanyl)-2,10-dimethyl-undecanedioic acid Openeye Name: 3,9-bis(6-ethyldecylsulfanyl)-2,10-dimethyl-undecanedioic acid CAS Name: 3,9-bis(6-ethyldecylthio)-2,10-dimethylundecanedioic acid IUPAC Name: 3,9-bis(6-ethyldecylsulfanyl)-2,10-dimethylundecanedioic acid Traditional Name: 3,9-bis(6-ethyldecylthio)-2,10-dimethyl-undecanedioic acid Formula: C37H72O4S2 MolecularWeight: 645.09518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCCCCSC(CCCCCC(C(C)C(=O)O)SCCCCCC(CC)CCCC)C(C)C(=O)O

Isomeric SMILES

CCCCC(CC)CCCCCSC(CCCCCC(C(C)C(=O)O)SCCCCCC(CC)CCCC)C(C)C(=O)O

InChI

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