5-butylnonan-5-yl 4-methylbenzenesulfonate

Systemtic Name: 5-butylnonan-5-yl 4-methylbenzenesulfonate Openeye Name: 1,1-dibutylpentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-butylnonan-5-yl ester IUPAC Name: 5-butylnonan-5-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,1-dibutylpentyl ester Formula: C20H34O3S MolecularWeight: 354.54716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC(CCCC)(CCCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H34O3S/c1-5-8-15-20(16-9-6-2,17-10-7-3)23-24(21,22)19-13-11-18(4)12-14-19/h11-14H,5-10,15-17H2,1-4H3