7-cyano-4-sulfonyl-heptanoic acid

Systemtic Name: 7-cyano-4-sulfonyl-heptanoic acid Openeye Name: 7-cyano-4-sulfonyl-heptanoic acid CAS Name: 7-cyano-4-sulfonylheptanoic acid IUPAC Name: 7-cyano-4-sulfonylheptanoic acid Traditional Name: 7-cyano-4-sulfonyl-enanthic acid Formula: C8H11NO4S MolecularWeight: 217.24224

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Descriptors Computed from Structure

Canonical SMILES:

C(CC#N)CC(=S(=O)=O)CCC(=O)O

Isomeric SMILES

C(CC#N)CC(=S(=O)=O)CCC(=O)O

InChI

InChI=1S/C8H11NO4S/c9-6-2-1-3-7(14(12)13)4-5-8(10)11/h1-5H2,(H,10,11)