(3-pentan-2-ylphenyl) methanesulfonate

Systemtic Name: (3-pentan-2-ylphenyl) methanesulfonate Openeye Name: [3-(1-methylbutyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid (3-pentan-2-ylphenyl) ester IUPAC Name: (3-pentan-2-ylphenyl) methanesulfonate Traditional Name: methanesulfonic acid [3-(1-methylbutyl)phenyl] ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O3S/c1-4-6-10(2)11-7-5-8-12(9-11)15-16(3,13)14/h5,7-10H,4,6H2,1-3H3