2,3-bis(2-methoxy-4-nitro-5-sulfonyl-cyclohexa-1,3-dien-1-yl)-N-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-carboxamide hydroxide

Systemtic Name: 2,3-bis(2-methoxy-4-nitro-5-sulfonyl-cyclohexa-1,3-dien-1-yl)-N-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-carboxamide hydroxide Openeye Name: 2,3-bis(2-methoxy-4-nitro-5-sulfonyl-cyclohexa-1,3-dien-1-yl)-N-phenyl-1,3-dihydrotetrazol-3-ium-5-carboxamide hydroxide CAS Name: 2,3-bis(2-methoxy-4-nitro-5-sulfonyl-1-cyclohexa-1,3-dienyl)-N-phenyl-1,3-dihydrotetrazol-3-ium-5-carboxamide hydroxide IUPAC Name: 2,3-bis(2-methoxy-4-nitro-5-sulfonylcyclohexa-1,3-dien-1-yl)-N-phenyl-1,3-dihydrotetrazol-3-ium-5-carboxamide hydroxide Traditional Name: 2,3-bis(2-methoxy-4-nitro-5-sulfonyl-cyclohexa-1,3-dien-1-yl)-N-phenyl-1,3-dihydrotetrazol-3-ium-5-carboxamide hydroxide Formula: C22H21N7O12S2 MolecularWeight: 639.57184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(=S(=O)=O)C(=C1)[N+](=O)[O-])[NH+]2N=C(NN2C3=C(C=C(C(=S(=O)=O)C3)[N+](=O)[O-])OC)C(=O)NC4=CC=CC=C4.[OH-]

Isomeric SMILES

COC1=C(CC(=S(=O)=O)C(=C1)[N+](=O)[O-])[NH+]2N=C(NN2C3=C(C=C(C(=S(=O)=O)C3)[N+](=O)[O-])OC)C(=O)NC4=CC=CC=C4.[OH-]

InChI

InChI=1S/C22H19N7O11S2.H2O/c1-39-17-8-15(28(31)32)19(41(35)36)10-13(17)26-24-21(22(30)23-12-6-4-3-5-7-12)25-27(26)14-11-20(42(37)38)16(29(33)34)9-18(14)40-2;/h3-9H,10-11H2,1-2H3,(H,23,30)(H,24,25);1H2