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

Systemtic Name: 3,9-bis(hexylsulfanyl)-2,10-dimethyl-undecanedioic acid Openeye Name: 3,9-bis(hexylsulfanyl)-2,10-dimethyl-undecanedioic acid CAS Name: 3,9-bis(hexylthio)-2,10-dimethylundecanedioic acid IUPAC Name: 3,9-bis(hexylsulfanyl)-2,10-dimethylundecanedioic acid Traditional Name: 3,9-bis(hexylthio)-2,10-dimethyl-undecanedioic acid Formula: C25H48O4S2 MolecularWeight: 476.77622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(CCCCCC(C(C)C(=O)O)SCCCCCC)C(C)C(=O)O

Isomeric SMILES

CCCCCCSC(CCCCCC(C(C)C(=O)O)SCCCCCC)C(C)C(=O)O

InChI

InChI=1S/C25H48O4S2/c1-5-7-9-14-18-30-22(20(3)24(26)27)16-12-11-13-17-23(21(4)25(28)29)31-19-15-10-8-6-2/h20-23H,5-19H2,1-4H3,(H,26,27)(H,28,29)