calcium 2-oxidanyl-2-sulfanyl-pentanoate

Systemtic Name: calcium 2-oxidanyl-2-sulfanyl-pentanoate Openeye Name: calcium 2-hydroxy-2-sulfanyl-pentanoate CAS Name: calcium 2-hydroxy-2-mercaptopentanoate IUPAC Name: calcium 2-hydroxy-2-sulfanylpentanoate Traditional Name: calcium 2-hydroxy-2-mercapto-valerate Formula: C10H18CaO6S2 MolecularWeight: 338.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])(O)S.CCCC(C(=O)[O-])(O)S.[Ca+2]

Isomeric SMILES

CCCC(C(=O)[O-])(O)S.CCCC(C(=O)[O-])(O)S.[Ca+2]

InChI

InChI=1S/2C5H10O3S.Ca/c2*1-2-3-5(8,9)4(6)7;/h2*8-9H,2-3H2,1H3,(H,6,7);/q;;+2/p-2