2-azanyl-1-(4-nitrophenyl)propane-1,3-diol; 2-(4-chlorophenyl)sulfonylethanoic acid

Systemtic Name: 2-azanyl-1-(4-nitrophenyl)propane-1,3-diol; 2-(4-chlorophenyl)sulfonylethanoic acid Openeye Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; 2-(4-chlorophenyl)sulfonylacetic acid CAS Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; 2-(4-chlorophenyl)sulfonylacetic acid IUPAC Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; 2-(4-chlorophenyl)sulfonylacetic acid Traditional Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; 2-(4-chlorophenyl)sulfonylacetic acid Formula: C17H19ClN2O8S MolecularWeight: 446.85936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-].C1=CC(=CC=C1S(=O)(=O)CC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-].C1=CC(=CC=C1S(=O)(=O)CC(=O)O)Cl

InChI

InChI=1S/C9H12N2O4.C8H7ClO4S/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15;9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4,8-9,12-13H,5,10H2;1-4H,5H2,(H,10,11)