[3-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyl-4-methyl-5-nitro-benzenesulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyl-4-methyl-5-nitro-benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 3-chloro-4-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 3-chloro-4-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C14H10ClN5O5S MolecularWeight: 395.7777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)Cl

InChI

InChI=1S/C14H10ClN5O5S/c1-9-13(15)6-12(7-14(9)20(21)22)26(23,24)25-11-4-2-3-10(5-11)19-8-16-17-18-19/h2-8H,1H3