2-(1-oxidanylidene-1-sulfanyl-hexan-2-yl)oxane-2-carbothioic S-acid

Systemtic Name: 2-(1-oxidanylidene-1-sulfanyl-hexan-2-yl)oxane-2-carbothioic S-acid Openeye Name: 2-(1-sulfanylcarbonylpentyl)tetrahydropyran-2-carbothioic S-acid CAS Name: 2-(1-mercapto-1-oxohexan-2-yl)-2-oxanecarbothioic S-acid IUPAC Name: 2-(1-oxo-1-sulfanylhexan-2-yl)oxane-2-carbothioic S-acid Traditional Name: 2-(1-thiocarboxypentyl)tetrahydropyran-2-carbothioic S-acid Formula: C12H20O3S2 MolecularWeight: 276.4154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)S)C1(CCCCO1)C(=O)S

Isomeric SMILES

CCCCC(C(=O)S)C1(CCCCO1)C(=O)S

InChI

InChI=1S/C12H20O3S2/c1-2-3-6-9(10(13)16)12(11(14)17)7-4-5-8-15-12/h9H,2-8H2,1H3,(H,13,16)(H,14,17)