3-(phenethylamino)propane-1-sulfinic acid

Systemtic Name: 3-(phenethylamino)propane-1-sulfinic acid Openeye Name: 3-(phenethylamino)propane-1-sulfinic acid CAS Name: 3-(phenethylamino)-1-propanesulfinic acid IUPAC Name: 3-(phenethylamino)propane-1-sulfinic acid Traditional Name: 3-(phenethylamino)propane-1-sulfinic acid Formula: C11H17NO2S MolecularWeight: 227.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCS(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCS(=O)O

InChI

InChI=1S/C11H17NO2S/c13-15(14)10-4-8-12-9-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,13,14)