hexane-1,2,6-triol; 4-sulfanylbutanoic acid

Systemtic Name: hexane-1,2,6-triol; 4-sulfanylbutanoic acid Openeye Name: hexane-1,2,6-triol; 4-sulfanylbutanoic acid CAS Name: hexane-1,2,6-triol; 4-mercaptobutanoic acid IUPAC Name: hexane-1,2,6-triol; 4-sulfanylbutanoic acid Traditional Name: hexane-1,2,6-triol; 4-mercaptobutyric acid Formula: C22H46O11S4 MolecularWeight: 614.85404

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Descriptors Computed from Structure

Canonical SMILES:

C(CCO)CC(CO)O.C(CC(=O)O)CS.C(CC(=O)O)CS.C(CC(=O)O)CS.C(CC(=O)O)CS

Isomeric SMILES

C(CCO)CC(CO)O.C(CC(=O)O)CS.C(CC(=O)O)CS.C(CC(=O)O)CS.C(CC(=O)O)CS

InChI

InChI=1S/C6H14O3.4C4H8O2S/c7-4-2-1-3-6(9)5-8;4*5-4(6)2-1-3-7/h6-9H,1-5H2;4*7H,1-3H2,(H,5,6)