2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoic acid Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitro-benzoic acid CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-5-nitrobenzoic acid IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-5-nitro-benzoic acid Formula: C11H9N5O4S MolecularWeight: 307.28526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9N5O4S/c17-10(18)8-5-7(16(19)20)3-4-9(8)21-11-12-13-14-15(11)6-1-2-6/h3-6H,1-2H2,(H,17,18)