4-methylbenzenesulfonic acid; piperidin-3-ylmethanol

Systemtic Name: 4-methylbenzenesulfonic acid; piperidin-3-ylmethanol Openeye Name: 4-methylbenzenesulfonic acid; 3-piperidylmethanol CAS Name: 4-methylbenzenesulfonic acid; 3-piperidinylmethanol IUPAC Name: 4-methylbenzenesulfonic acid; piperidin-3-ylmethanol Traditional Name: 3-piperidylmethanol; tosylic acid Formula: C20H29NO7S2 MolecularWeight: 459.57676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CNC1)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CNC1)CO

InChI

InChI=1S/2C7H8O3S.C6H13NO/c2*1-6-2-4-7(5-3-6)11(8,9)10;8-5-6-2-1-3-7-4-6/h2*2-5H,1H3,(H,8,9,10);6-8H,1-5H2