[4-[2,3-bis(azanyl)-3-oxidanylidene-propyl]phenyl] hydrogen sulfate

Systemtic Name: [4-[2,3-bis(azanyl)-3-oxidanylidene-propyl]phenyl] hydrogen sulfate Openeye Name: [4-(2,3-diamino-3-oxo-propyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-(2,3-diamino-3-oxopropyl)phenyl] ester IUPAC Name: [4-(2,3-diamino-3-oxopropyl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(2,3-diamino-3-keto-propyl)phenyl] ester Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)N)N)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)N)N)OS(=O)(=O)O

InChI

InChI=1S/C9H12N2O5S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H2,11,12)(H,13,14,15)