4-methylbenzenesulfonic acid; 2-piperazin-1-ylethanol

Systemtic Name: 4-methylbenzenesulfonic acid; 2-piperazin-1-ylethanol Openeye Name: 4-methylbenzenesulfonic acid; 2-piperazin-1-ylethanol CAS Name: 4-methylbenzenesulfonic acid; 2-(1-piperazinyl)ethanol IUPAC Name: 4-methylbenzenesulfonic acid; 2-piperazin-1-ylethanol Traditional Name: 2-piperazinoethanol; tosylic acid Formula: C20H30N2O7S2 MolecularWeight: 474.5914

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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.C1CN(CCN1)CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1)CCO

InChI

InChI=1S/2C7H8O3S.C6H14N2O/c2*1-6-2-4-7(5-3-6)11(8,9)10;9-6-5-8-3-1-7-2-4-8/h2*2-5H,1H3,(H,8,9,10);7,9H,1-6H2