3-azido-5-(2-methylpropyl)-4-oxidanyl-cyclohexene-1-carboxylic acid

Systemtic Name: 3-azido-5-(2-methylpropyl)-4-oxidanyl-cyclohexene-1-carboxylic acid Openeye Name: 3-azido-4-hydroxy-5-isobutyl-cyclohexene-1-carboxylic acid CAS Name: 3-azido-4-hydroxy-5-(2-methylpropyl)-1-cyclohexenecarboxylic acid IUPAC Name: 3-azido-4-hydroxy-5-(2-methylpropyl)cyclohexene-1-carboxylic acid Traditional Name: 3-azido-4-hydroxy-5-isobutyl-cyclohexene-1-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(=CC(C1O)N=[N+]=[N-])C(=O)O

Isomeric SMILES

CC(C)CC1CC(=CC(C1O)N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C11H17N3O3/c1-6(2)3-7-4-8(11(16)17)5-9(10(7)15)13-14-12/h5-7,9-10,15H,3-4H2,1-2H3,(H,16,17)