4-(5-methyl-3-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl)phenol; 2-propan-2-ylnaphthalene-1-sulfonate

Systemtic Name: 4-(5-methyl-3-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl)phenol; 2-propan-2-ylnaphthalene-1-sulfonate Openeye Name: 2-isopropylnaphthalene-1-sulfonate; 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol CAS Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol; 2-propan-2-yl-1-naphthalenesulfonate IUPAC Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol; 2-propan-2-ylnaphthalene-1-sulfonate Traditional Name: 2-isopropylnaphthalene-1-sulfonate; 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+](N(N1)C2=CC=C(C=C2)O)C3=CC=CC=C3.CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=N[NH+](N(N1)C2=CC=C(C=C2)O)C3=CC=CC=C3.CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H14N4O.C13H14O3S/c1-11-15-17(12-5-3-2-4-6-12)18(16-11)13-7-9-14(19)10-8-13;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16/h2-10,19H,1H3,(H,15,16);3-9H,1-2H3,(H,14,15,16)