4-methylbenzenesulfonate; pyridin-1-ium-2-carbaldehyde

Systemtic Name: 4-methylbenzenesulfonate; pyridin-1-ium-2-carbaldehyde Openeye Name: 4-methylbenzenesulfonate; pyridin-1-ium-2-carbaldehyde CAS Name: 4-methylbenzenesulfonate; 2-pyridin-1-iumcarboxaldehyde IUPAC Name: 4-methylbenzenesulfonate; pyridin-1-ium-2-carbaldehyde Traditional Name: pyridin-1-ium-2-carbaldehyde tosylate Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H5NO/c1-6-2-4-7(5-3-6)11(8,9)10;8-5-6-3-1-2-4-7-6/h2-5H,1H3,(H,8,9,10);1-5H