4-methylbenzenesulfonic acid; 1-undecylpiperidine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-undecylpiperidine Openeye Name: 4-methylbenzenesulfonic acid; 1-undecylpiperidine CAS Name: 4-methylbenzenesulfonic acid; 1-undecylpiperidine IUPAC Name: 4-methylbenzenesulfonic acid; 1-undecylpiperidine Traditional Name: tosylic acid; 1-undecylpiperidine Formula: C23H41NO3S MolecularWeight: 411.64154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1CCCCC1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCN1CCCCC1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H33N.C7H8O3S/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-16H2,1H3;2-5H,1H3,(H,8,9,10)