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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)CCSC(CCCCCC(C(C)C(=O)O)SCCC(CCCC)CCCCC)C(C)C(=O)O

Isomeric SMILES

CCCCCC(CCCC)CCSC(CCCCCC(C(C)C(=O)O)SCCC(CCCC)CCCCC)C(C)C(=O)O

InChI

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