2-(3-azidopropyl)-4-methyl-benzenesulfonate

Systemtic Name: 2-(3-azidopropyl)-4-methyl-benzenesulfonate Openeye Name: 2-(3-azidopropyl)-4-methyl-benzenesulfonate CAS Name: 2-(3-azidopropyl)-4-methylbenzenesulfonate IUPAC Name: 2-(3-azidopropyl)-4-methylbenzenesulfonate Traditional Name: 2-(3-azidopropyl)-4-methyl-besylate Formula: C10H12N3O3S- MolecularWeight: 254.28558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O3S/c1-8-4-5-10(17(14,15)16)9(7-8)3-2-6-12-13-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,16)/p-1