2,3-di(propan-2-yl)naphthalene-1-sulfonate; 5-nitro-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: 2,3-di(propan-2-yl)naphthalene-1-sulfonate; 5-nitro-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 2,3-diisopropylnaphthalene-1-sulfonate; 5-nitro-2,3-diphenyl-1,3-dihydrotetrazol-3-ium CAS Name: 2,3-di(propan-2-yl)-1-naphthalenesulfonate; 5-nitro-2,3-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: 2,3-di(propan-2-yl)naphthalene-1-sulfonate; 5-nitro-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 2,3-diisopropylnaphthalene-1-sulfonate; 5-nitro-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Formula: C29H31N5O5S MolecularWeight: 561.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20O3S.C13H11N5O2/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;19-18(20)13-14-16(11-7-3-1-4-8-11)17(15-13)12-9-5-2-6-10-12/h5-11H,1-4H3,(H,17,18,19);1-10H,(H,14,15)