(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 6,8-bis(sulfanyl)octanoic acid

Systemtic Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 6,8-bis(sulfanyl)octanoic acid Openeye Name: (3R)-3-acetoxy-4-(trimethylammonio)butanoate; 6,8-bis(sulfanyl)octanoic acid CAS Name: (3R)-3-acetyloxy-4-(trimethylammonio)butanoate; 6,8-dimercaptooctanoic acid IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 6,8-bis(sulfanyl)octanoic acid Traditional Name: (3R)-3-acetoxy-4-(trimethylammonio)butyrate; 6,8-dimercaptocaprylic acid Formula: C17H33NO6S2 MolecularWeight: 411.57702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.C(CCC(=O)O)CC(CCS)S

Isomeric SMILES

CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C(CCC(=O)O)CC(CCS)S

InChI

InChI=1S/C9H17NO4.C8H16O2S2/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;9-8(10)4-2-1-3-7(12)5-6-11/h8H,5-6H2,1-4H3;7,11-12H,1-6H2,(H,9,10)/t8-;/m1./s1