4-ethyl-4-(1-sulfanylethyl)heptanedioic acid

Systemtic Name: 4-ethyl-4-(1-sulfanylethyl)heptanedioic acid Openeye Name: 4-ethyl-4-(1-sulfanylethyl)heptanedioic acid CAS Name: 4-ethyl-4-(1-mercaptoethyl)heptanedioic acid IUPAC Name: 4-ethyl-4-(1-sulfanylethyl)heptanedioic acid Traditional Name: 4-ethyl-4-(1-mercaptoethyl)pimelic acid Formula: C11H20O4S MolecularWeight: 248.3391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O4S/c1-3-11(8(2)16,6-4-9(12)13)7-5-10(14)15/h8,16H,3-7H2,1-2H3,(H,12,13)(H,14,15)