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

Systemtic Name: 2-acetyloxy-5-[[(1S,6S)-6-carboxylato-3-chloranyl-cyclohex-3-en-1-yl]carbonylamino]benzoate Openeye Name: 2-acetoxy-5-[[(1S,6S)-6-carboxylato-3-chloro-cyclohex-3-ene-1-carbonyl]amino]benzoate CAS Name: 2-acetyloxy-5-[[[(1S,6S)-6-carboxylato-3-chloro-1-cyclohex-3-enyl]-oxomethyl]amino]benzoate IUPAC Name: 2-acetyloxy-5-[[(1S,6S)-6-carboxylato-3-chlorocyclohex-3-ene-1-carbonyl]amino]benzoate Traditional Name: 2-acetoxy-5-[[(1S,6S)-6-carboxylato-3-chloro-cyclohex-3-ene-1-carbonyl]amino]benzoate Formula: C17H14ClNO7-2 MolecularWeight: 379.74856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)NC(=O)C2CC(=CCC2C(=O)[O-])Cl)C(=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)NC(=O)[C@H]2CC(=CC[C@@H]2C(=O)[O-])Cl)C(=O)[O-]

InChI

InChI=1S/C17H16ClNO7/c1-8(20)26-14-5-3-10(7-13(14)17(24)25)19-15(21)12-6-9(18)2-4-11(12)16(22)23/h2-3,5,7,11-12H,4,6H2,1H3,(H,19,21)(H,22,23)(H,24,25)/p-2/t11-,12-/m0/s1