2-azanyl-1-(4-nitrophenyl)propane-1,3-diol; 2-(2,4-dinitrophenyl)sulfanylethanoic acid

Systemtic Name: 2-azanyl-1-(4-nitrophenyl)propane-1,3-diol; 2-(2,4-dinitrophenyl)sulfanylethanoic acid Openeye Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; 2-(2,4-dinitrophenyl)sulfanylacetic acid CAS Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; 2-[(2,4-dinitrophenyl)thio]acetic acid IUPAC Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; 2-(2,4-dinitrophenyl)sulfanylacetic acid Traditional Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; 2-[(2,4-dinitrophenyl)thio]acetic acid Formula: C17H18N4O10S MolecularWeight: 470.41062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O4.C8H6N2O6S/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15;11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16/h1-4,8-9,12-13H,5,10H2;1-3H,4H2,(H,11,12)