1-(4-aminophenyl)propan-1-one sulfate

Systemtic Name: 1-(4-aminophenyl)propan-1-one sulfate Openeye Name: 1-(4-aminophenyl)propan-1-one sulfate CAS Name: 1-(4-aminophenyl)-1-propanone sulfate IUPAC Name: 1-(4-aminophenyl)propan-1-one sulfate Traditional Name: 1-(4-aminophenyl)propan-1-one sulfate Formula: C18H22N2O6S-2 MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)N.CCC(=O)C1=CC=C(C=C1)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)N.CCC(=O)C1=CC=C(C=C1)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H11NO.H2O4S/c2*1-2-9(11)7-3-5-8(10)6-4-7;1-5(2,3)4/h2*3-6H,2,10H2,1H3;(H2,1,2,3,4)/p-2