azanylidyneazanium; 4-methylbenzenesulfonate; methyl 3-oxidanylbenzoate

Systemtic Name: azanylidyneazanium; 4-methylbenzenesulfonate; methyl 3-oxidanylbenzoate Openeye Name: 4-methylbenzenesulfonate; methyl 3-hydroxybenzoate; nitridoammonium CAS Name: 3-hydroxybenzoic acid methyl ester; 4-methylbenzenesulfonate; nitriloammonium IUPAC Name: azanylidyneazanium; 4-methylbenzenesulfonate; methyl 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid methyl ester; nitriloammonium; tosylate Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC(=O)C1=CC(=CC=C1)O.[NH+]#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC(=O)C1=CC(=CC=C1)O.[NH+]#N

InChI

InChI=1S/C8H8O3.C7H8O3S.N2/c1-11-8(10)6-3-2-4-7(9)5-6;1-6-2-4-7(5-3-6)11(8,9)10;1-2/h2-5,9H,1H3;2-5H,1H3,(H,8,9,10);