[2-azanyl-5-[(4-azanyl-3-chloranyl-5-oxidanyl-phenyl)methyl]-3-chloranyl-phenyl] hydrogen sulfate

Systemtic Name: [2-azanyl-5-[(4-azanyl-3-chloranyl-5-oxidanyl-phenyl)methyl]-3-chloranyl-phenyl] hydrogen sulfate Openeye Name: [2-amino-5-[(4-amino-3-chloro-5-hydroxy-phenyl)methyl]-3-chloro-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-5-[(4-amino-3-chloro-5-hydroxyphenyl)methyl]-3-chlorophenyl] ester IUPAC Name: [2-amino-5-[(4-amino-3-chloro-5-hydroxyphenyl)methyl]-3-chlorophenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-5-(4-amino-3-chloro-5-hydroxy-benzyl)-3-chloro-phenyl] ester Formula: C13H12Cl2N2O5S MolecularWeight: 379.21578

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)N)Cl)CC2=CC(=C(C(=C2)Cl)N)OS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1O)N)Cl)CC2=CC(=C(C(=C2)Cl)N)OS(=O)(=O)O

InChI

InChI=1S/C13H12Cl2N2O5S/c14-8-2-6(4-10(18)12(8)16)1-7-3-9(15)13(17)11(5-7)22-23(19,20)21/h2-5,18H,1,16-17H2,(H,19,20,21)