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

Systemtic Name: 5-[[(1R,6S)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]-2-oxidanyl-benzoate Openeye Name: 5-[[(1R,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-hydroxy-benzoate CAS Name: 5-[[[(1R,6S)-6-carboxylato-1-cyclohex-3-enyl]-oxomethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[(1R,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-hydroxybenzoate Traditional Name: 5-[[(1R,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-hydroxy-benzoate Formula: C15H13NO6-2 MolecularWeight: 303.26682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO6/c17-12-6-5-8(7-11(12)15(21)22)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10,17H,3-4H2,(H,16,18)(H,19,20)(H,21,22)/p-2/t9-,10+/m1/s1