4-(4-butylphenyl)butyl 4-methylbenzenesulfonate

Systemtic Name: 4-(4-butylphenyl)butyl 4-methylbenzenesulfonate Openeye Name: 4-(4-butylphenyl)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(4-butylphenyl)butyl ester IUPAC Name: 4-(4-butylphenyl)butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(4-butylphenyl)butyl ester Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O3S/c1-3-4-7-19-11-13-20(14-12-19)8-5-6-17-24-25(22,23)21-15-9-18(2)10-16-21/h9-16H,3-8,17H2,1-2H3