3-methyl-3-sulfanyl-hexanedioic acid

Systemtic Name: 3-methyl-3-sulfanyl-hexanedioic acid Openeye Name: 3-methyl-3-sulfanyl-hexanedioic acid CAS Name: 3-mercapto-3-methylhexanedioic acid IUPAC Name: 3-methyl-3-sulfanylhexanedioic acid Traditional Name: 3-mercapto-3-methyl-adipic acid Formula: C7H12O4S MolecularWeight: 192.23278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O4S/c1-7(12,4-6(10)11)3-2-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)