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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3S/c1-4-5-15(3)16-8-10-17(11-9-16)21-22(19,20)18-12-6-14(2)7-13-18/h6-13,15H,4-5H2,1-3H3