ethanesulfonate; 2-phenylethanamine

Systemtic Name: ethanesulfonate; 2-phenylethanamine Openeye Name: ethanesulfonate; 2-phenylethanamine CAS Name: ethanesulfonate; 2-phenylethanamine IUPAC Name: ethanesulfonate; 2-phenylethanamine Traditional Name: phenethylamine esylate Formula: C10H16NO3S- MolecularWeight: 230.30394

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].C1=CC=C(C=C1)CCN

Isomeric SMILES

CCS(=O)(=O)[O-].C1=CC=C(C=C1)CCN

InChI

InChI=1S/C8H11N.C2H6O3S/c9-7-6-8-4-2-1-3-5-8;1-2-6(3,4)5/h1-5H,6-7,9H2;2H2,1H3,(H,3,4,5)/p-1