4-methyl-3-[2-[2-[4-methyl-3-(2-oxidanylidene-2-sulfanyl-ethyl)tetradecoxy]ethoxy]ethyl]tetradecanethioic S-acid

Systemtic Name: 4-methyl-3-[2-[2-[4-methyl-3-(2-oxidanylidene-2-sulfanyl-ethyl)tetradecoxy]ethoxy]ethyl]tetradecanethioic S-acid Openeye Name: 4-methyl-3-[2-[2-[4-methyl-3-(2-oxo-2-sulfanyl-ethyl)tetradecoxy]ethoxy]ethyl]tetradecanethioic S-acid CAS Name: 3-[2-[2-[3-(2-mercapto-2-oxoethyl)-4-methyltetradecoxy]ethoxy]ethyl]-4-methyltetradecanethioic S-acid IUPAC Name: 4-methyl-3-[2-[2-[4-methyl-3-(2-oxo-2-sulfanylethyl)tetradecoxy]ethoxy]ethyl]tetradecanethioic S-acid Traditional Name: 3-[2-[2-[3-(2-keto-2-mercapto-ethyl)-4-methyl-tetradecoxy]ethoxy]ethyl]-4-methyl-thiomyristic acid Formula: C36H70O4S2 MolecularWeight: 631.0686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)C(CCOCCOCCC(CC(=O)S)C(C)CCCCCCCCCC)CC(=O)S

Isomeric SMILES

CCCCCCCCCCC(C)C(CCOCCOCCC(CC(=O)S)C(C)CCCCCCCCCC)CC(=O)S

InChI

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