[4-(butylaminomethyl)phenyl] methanesulfonate

Systemtic Name: [4-(butylaminomethyl)phenyl] methanesulfonate Openeye Name: [4-(butylaminomethyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(butylaminomethyl)phenyl] ester IUPAC Name: [4-(butylaminomethyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(butylaminomethyl)phenyl] ester Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

CCCCNCC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C12H19NO3S/c1-3-4-9-13-10-11-5-7-12(8-6-11)16-17(2,14)15/h5-8,13H,3-4,9-10H2,1-2H3