5-ethyl-3-[2-[2-[5-ethyl-3-(2-oxidanylidene-2-sulfanyl-ethyl)tridecoxy]ethoxy]ethyl]tridecanethioic S-acid

Systemtic Name: 5-ethyl-3-[2-[2-[5-ethyl-3-(2-oxidanylidene-2-sulfanyl-ethyl)tridecoxy]ethoxy]ethyl]tridecanethioic S-acid Openeye Name: 5-ethyl-3-[2-[2-[5-ethyl-3-(2-oxo-2-sulfanyl-ethyl)tridecoxy]ethoxy]ethyl]tridecanethioic S-acid CAS Name: 5-ethyl-3-[2-[2-[5-ethyl-3-(2-mercapto-2-oxoethyl)tridecoxy]ethoxy]ethyl]tridecanethioic S-acid IUPAC Name: 5-ethyl-3-[2-[2-[5-ethyl-3-(2-oxo-2-sulfanylethyl)tridecoxy]ethoxy]ethyl]tridecanethioic S-acid Traditional Name: 5-ethyl-3-[2-[2-[5-ethyl-3-(2-keto-2-mercapto-ethyl)tridecoxy]ethoxy]ethyl]tridecanethioic S-acid Formula: C36H70O4S2 MolecularWeight: 631.0686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC)CC(CCOCCOCCC(CC(CC)CCCCCCCC)CC(=O)S)CC(=O)S

Isomeric SMILES

CCCCCCCCC(CC)CC(CCOCCOCCC(CC(CC)CCCCCCCC)CC(=O)S)CC(=O)S

InChI

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