[3-sulfanyl-4-(7-sulfanyloctanoyloxy)pentan-2-yl] 7-sulfanyloctanoate

Systemtic Name: [3-sulfanyl-4-(7-sulfanyloctanoyloxy)pentan-2-yl] 7-sulfanyloctanoate Openeye Name: [1-methyl-2-sulfanyl-3-(7-sulfanyloctanoyloxy)butyl] 7-sulfanyloctanoate CAS Name: 7-mercaptooctanoic acid [3-mercapto-4-(7-mercapto-1-oxooctoxy)pentan-2-yl] ester IUPAC Name: [3-sulfanyl-4-(7-sulfanyloctanoyloxy)pentan-2-yl] 7-sulfanyloctanoate Traditional Name: 7-mercaptocaprylic acid [2-mercapto-3-(7-mercaptooctanoyloxy)-1-methyl-butyl] ester Formula: C21H40O4S3 MolecularWeight: 452.7349

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCC(C)S)S)S

Isomeric SMILES

CC(CCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCC(C)S)S)S

InChI

InChI=1S/C21H40O4S3/c1-15(26)11-7-5-9-13-19(22)24-17(3)21(28)18(4)25-20(23)14-10-6-8-12-16(2)27/h15-18,21,26-28H,5-14H2,1-4H3