(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C13H15ClN4O4S/c1-3-6-18-12(15-16-17-18)8-22-13(19)10-7-9(23(2,20)21)4-5-11(10)14/h4-5,7H,3,6,8H2,1-2H3