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

Systemtic Name: (3-pentan-2-ylphenyl) 4-methylbenzenesulfonate Openeye Name: [3-(1-methylbutyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-pentan-2-ylphenyl) ester IUPAC Name: (3-pentan-2-ylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(1-methylbutyl)phenyl] ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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