4-methyl-4-sulfanyl-heptanedioic acid

Systemtic Name: 4-methyl-4-sulfanyl-heptanedioic acid Openeye Name: 4-methyl-4-sulfanyl-heptanedioic acid CAS Name: 4-mercapto-4-methylheptanedioic acid IUPAC Name: 4-methyl-4-sulfanylheptanedioic acid Traditional Name: 4-mercapto-4-methyl-pimelic acid Formula: C8H14O4S MolecularWeight: 206.25936

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(CCC(=O)O)S

Isomeric SMILES

CC(CCC(=O)O)(CCC(=O)O)S

InChI

InChI=1S/C8H14O4S/c1-8(13,4-2-6(9)10)5-3-7(11)12/h13H,2-5H2,1H3,(H,9,10)(H,11,12)