2-[hydroxymethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid

Systemtic Name: 2-[hydroxymethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid Openeye Name: 2-[hydroxymethyl(1-phenylallyl)amino]ethanesulfonic acid CAS Name: 2-[hydroxymethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid IUPAC Name: 2-[hydroxymethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid Traditional Name: 2-[methylol(1-phenylallyl)amino]ethanesulfonic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=CC=C1)N(CCS(=O)(=O)O)CO

Isomeric SMILES

C=CC(C1=CC=CC=C1)N(CCS(=O)(=O)O)CO

InChI

InChI=1S/C12H17NO4S/c1-2-12(11-6-4-3-5-7-11)13(10-14)8-9-18(15,16)17/h2-7,12,14H,1,8-10H2,(H,15,16,17)