4-ethyl-4-sulfanyl-heptanedioic acid

Systemtic Name: 4-ethyl-4-sulfanyl-heptanedioic acid Openeye Name: 4-ethyl-4-sulfanyl-heptanedioic acid CAS Name: 4-ethyl-4-mercaptoheptanedioic acid IUPAC Name: 4-ethyl-4-sulfanylheptanedioic acid Traditional Name: 4-ethyl-4-mercapto-pimelic acid Formula: C9H16O4S MolecularWeight: 220.28594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4S/c1-2-9(14,5-3-7(10)11)6-4-8(12)13/h14H,2-6H2,1H3,(H,10,11)(H,12,13)