4-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)-2-nitro-5-propyl-benzoic acid

Systemtic Name: 4-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)-2-nitro-5-propyl-benzoic acid Openeye Name: 4-(1-chloro-2-hydroxy-2-oxo-ethyl)-2-nitro-5-propyl-benzoic acid CAS Name: 4-(1-chloro-2-hydroxy-2-oxoethyl)-2-nitro-5-propylbenzoic acid IUPAC Name: 4-(1-chloro-2-hydroxy-2-oxoethyl)-2-nitro-5-propylbenzoic acid Traditional Name: 4-(1-chloro-2-hydroxy-2-keto-ethyl)-2-nitro-5-propyl-benzoic acid Formula: C12H12ClNO6 MolecularWeight: 301.67978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])C(C(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])C(C(=O)O)Cl

InChI

InChI=1S/C12H12ClNO6/c1-2-3-6-4-8(11(15)16)9(14(19)20)5-7(6)10(13)12(17)18/h4-5,10H,2-3H2,1H3,(H,15,16)(H,17,18)