hexadecan-4-ol; 4-methylbenzenesulfonate

Systemtic Name: hexadecan-4-ol; 4-methylbenzenesulfonate Openeye Name: hexadecan-4-ol; 4-methylbenzenesulfonate CAS Name: 4-hexadecanol; 4-methylbenzenesulfonate IUPAC Name: hexadecan-4-ol; 4-methylbenzenesulfonate Traditional Name: hexadecan-4-ol tosylate Formula: C23H41O4S- MolecularWeight: 413.63424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCC)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H34O.C7H8O3S/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h16-17H,3-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1