4-[2-(hydroxymethyl)-2-methyl-pentoxy]-3-oxidanyl-4-sulfanylidene-butanethioic S-acid

Systemtic Name: 4-[2-(hydroxymethyl)-2-methyl-pentoxy]-3-oxidanyl-4-sulfanylidene-butanethioic S-acid Openeye Name: 3-hydroxy-4-[2-(hydroxymethyl)-2-methyl-pentoxy]-4-thioxo-butanethioic S-acid CAS Name: 3-hydroxy-4-[2-(hydroxymethyl)-2-methylpentoxy]-4-sulfanylidenebutanethioic S-acid IUPAC Name: 3-hydroxy-4-[2-(hydroxymethyl)-2-methylpentoxy]-4-sulfanylidenebutanethioic S-acid Traditional Name: 3-hydroxy-4-(2-methyl-2-methylol-pentoxy)-4-thioxo-thiobutyric acid Formula: C11H20O4S2 MolecularWeight: 280.4041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O4S2/c1-3-4-11(2,6-12)7-15-10(17)8(13)5-9(14)16/h8,12-13H,3-7H2,1-2H3,(H,14,16)