3-oxidanyl-4-sulfanylidene-4-(2,2,4-trimethyl-3-oxidanyl-pentoxy)butanethioic S-acid

Systemtic Name: 3-oxidanyl-4-sulfanylidene-4-(2,2,4-trimethyl-3-oxidanyl-pentoxy)butanethioic S-acid Openeye Name: 3-hydroxy-4-(3-hydroxy-2,2,4-trimethyl-pentoxy)-4-thioxo-butanethioic S-acid CAS Name: 3-hydroxy-4-(3-hydroxy-2,2,4-trimethylpentoxy)-4-sulfanylidenebutanethioic S-acid IUPAC Name: 3-hydroxy-4-(3-hydroxy-2,2,4-trimethylpentoxy)-4-sulfanylidenebutanethioic S-acid Traditional Name: 3-hydroxy-4-(3-hydroxy-2,2,4-trimethyl-pentoxy)-4-thioxo-thiobutyric acid Formula: C12H22O4S2 MolecularWeight: 294.43068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)COC(=S)C(CC(=O)S)O)O

Isomeric SMILES

CC(C)C(C(C)(C)COC(=S)C(CC(=O)S)O)O

InChI

InChI=1S/C12H22O4S2/c1-7(2)10(15)12(3,4)6-16-11(18)8(13)5-9(14)17/h7-8,10,13,15H,5-6H2,1-4H3,(H,14,17)