(2-pentan-2-ylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-pentan-2-ylphenyl) 4-methylbenzenesulfonate Openeye Name: [2-(1-methylbutyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-pentan-2-ylphenyl) ester IUPAC Name: (2-pentan-2-ylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-methylbutyl)phenyl] ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H22O3S/c1-4-7-15(3)17-8-5-6-9-18(17)21-22(19,20)16-12-10-14(2)11-13-16/h5-6,8-13,15H,4,7H2,1-3H3