3-azidosulfonyl-4-(2,2-dimethylpropyl)benzoic acid

Systemtic Name: 3-azidosulfonyl-4-(2,2-dimethylpropyl)benzoic acid Openeye Name: 3-azidosulfonyl-4-(2,2-dimethylpropyl)benzoic acid CAS Name: 3-azidosulfonyl-4-(2,2-dimethylpropyl)benzoic acid IUPAC Name: 3-azidosulfonyl-4-(2,2-dimethylpropyl)benzoic acid Traditional Name: 3-azidosulfonyl-4-neopentyl-benzoic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C12H15N3O4S/c1-12(2,3)7-9-5-4-8(11(16)17)6-10(9)20(18,19)15-14-13/h4-6H,7H2,1-3H3,(H,16,17)