2-propan-2-ylnaphthalene-1-sulfonate; 2,3,5-triphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: 2-propan-2-ylnaphthalene-1-sulfonate; 2,3,5-triphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 2-isopropylnaphthalene-1-sulfonate; 2,3,5-triphenyl-1,3-dihydrotetrazol-3-ium CAS Name: 2-propan-2-yl-1-naphthalenesulfonate; 2,3,5-triphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: 2-propan-2-ylnaphthalene-1-sulfonate; 2,3,5-triphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 2-isopropylnaphthalene-1-sulfonate; 2,3,5-triphenyl-1,3-dihydrotetrazol-3-ium Formula: C32H30N4O3S MolecularWeight: 550.6706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4.C13H14O3S/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16/h1-15H,(H,20,21);3-9H,1-2H3,(H,14,15,16)