5-[[(1S,6R)-6-carboxylato-3-chloranyl-cyclohex-3-en-1-yl]carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[(1S,6R)-6-carboxylato-3-chloranyl-cyclohex-3-en-1-yl]carbonylamino]-2-oxidanyl-benzoate Openeye Name: 5-[[(1S,6R)-6-carboxylato-3-chloro-cyclohex-3-ene-1-carbonyl]amino]-2-hydroxy-benzoate CAS Name: 5-[[[(1S,6R)-6-carboxylato-3-chloro-1-cyclohex-3-enyl]-oxomethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[(1S,6R)-6-carboxylato-3-chlorocyclohex-3-ene-1-carbonyl]amino]-2-hydroxybenzoate Traditional Name: 5-[[(1S,6R)-6-carboxylato-3-chloro-cyclohex-3-ene-1-carbonyl]amino]-2-hydroxy-benzoate Formula: C15H12ClNO6-2 MolecularWeight: 337.71188

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C(=O)[O-])C(=O)NC2=CC(=C(C=C2)O)C(=O)[O-])Cl

Isomeric SMILES

C1C=C(C[C@@H]([C@@H]1C(=O)[O-])C(=O)NC2=CC(=C(C=C2)O)C(=O)[O-])Cl

InChI

InChI=1S/C15H14ClNO6/c16-7-1-3-9(14(20)21)10(5-7)13(19)17-8-2-4-12(18)11(6-8)15(22)23/h1-2,4,6,9-10,18H,3,5H2,(H,17,19)(H,20,21)(H,22,23)/p-2/t9-,10+/m1/s1