6-butyl-3-[2-[2-[6-butyl-3-(2-oxidanylidene-2-sulfanyl-ethyl)undecoxy]ethoxy]ethyl]undecanethioic S-acid

Systemtic Name: 6-butyl-3-[2-[2-[6-butyl-3-(2-oxidanylidene-2-sulfanyl-ethyl)undecoxy]ethoxy]ethyl]undecanethioic S-acid Openeye Name: 6-butyl-3-[2-[2-[6-butyl-3-(2-oxo-2-sulfanyl-ethyl)undecoxy]ethoxy]ethyl]undecanethioic S-acid CAS Name: 6-butyl-3-[2-[2-[6-butyl-3-(2-mercapto-2-oxoethyl)undecoxy]ethoxy]ethyl]undecanethioic S-acid IUPAC Name: 6-butyl-3-[2-[2-[6-butyl-3-(2-oxo-2-sulfanylethyl)undecoxy]ethoxy]ethyl]undecanethioic S-acid Traditional Name: 6-butyl-3-[2-[2-[6-butyl-3-(2-keto-2-mercapto-ethyl)undecoxy]ethoxy]ethyl]undecanethioic S-acid Formula: C36H70O4S2 MolecularWeight: 631.0686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)CCC(CCOCCOCCC(CCC(CCCC)CCCCC)CC(=O)S)CC(=O)S

Isomeric SMILES

CCCCCC(CCCC)CCC(CCOCCOCCC(CCC(CCCC)CCCCC)CC(=O)S)CC(=O)S

InChI

InChI=1S/C36H70O4S2/c1-5-9-13-17-31(15-11-7-3)19-21-33(29-35(37)41)23-25-39-27-28-40-26-24-34(30-36(38)42)22-20-32(16-12-8-4)18-14-10-6-2/h31-34H,5-30H2,1-4H3,(H,37,41)(H,38,42)