ethanesulfonic acid; 3-(4-nitrophenoxy)propan-1-amine

Systemtic Name: ethanesulfonic acid; 3-(4-nitrophenoxy)propan-1-amine Openeye Name: ethanesulfonic acid; 3-(4-nitrophenoxy)propan-1-amine CAS Name: ethanesulfonic acid; 3-(4-nitrophenoxy)-1-propanamine IUPAC Name: ethanesulfonic acid; 3-(4-nitrophenoxy)propan-1-amine Traditional Name: esylic acid; 3-(4-nitrophenoxy)propylamine Formula: C11H18N2O6S MolecularWeight: 306.33542

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC(=CC=C1[N+](=O)[O-])OCCCN

Isomeric SMILES

CCS(=O)(=O)O.C1=CC(=CC=C1[N+](=O)[O-])OCCCN

InChI

InChI=1S/C9H12N2O3.C2H6O3S/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13;1-2-6(3,4)5/h2-5H,1,6-7,10H2;2H2,1H3,(H,3,4,5)