3-[2-[2-[3-(2-oxidanylidene-2-sulfanyl-ethyl)pentadecoxy]ethoxy]ethyl]pentadecanethioic S-acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCOCCOCCC(CCCCCCCCCCCC)CC(=O)S)CC(=O)S

Isomeric SMILES

CCCCCCCCCCCCC(CCOCCOCCC(CCCCCCCCCCCC)CC(=O)S)CC(=O)S

InChI

InChI=1S/C36H70O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-33(31-35(37)41)25-27-39-29-30-40-28-26-34(32-36(38)42)24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,37,41)(H,38,42)