4-[[4-azanyl-3-(hydroxymethyl)phenyl]amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[[4-azanyl-3-(hydroxymethyl)phenyl]amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-[4-amino-3-(hydroxymethyl)anilino]-3,5-dinitro-benzenesulfonic acid CAS Name: 4-[4-amino-3-(hydroxymethyl)anilino]-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-[4-amino-3-(hydroxymethyl)anilino]-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(4-amino-3-methylol-anilino)-3,5-dinitro-besylic acid Formula: C13H12N4O8S MolecularWeight: 384.32138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])CO)N

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])CO)N

InChI

InChI=1S/C13H12N4O8S/c14-10-2-1-8(3-7(10)6-18)15-13-11(16(19)20)4-9(26(23,24)25)5-12(13)17(21)22/h1-5,15,18H,6,14H2,(H,23,24,25)