4-[[4-[bis(2-hydroxyethyl)amino]phenyl]amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-[4-[bis(2-hydroxyethyl)amino]anilino]-3,5-dinitro-benzenesulfonic acid CAS Name: 4-[4-[bis(2-hydroxyethyl)amino]anilino]-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-[4-[bis(2-hydroxyethyl)amino]anilino]-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-[4-[bis(2-hydroxyethyl)amino]anilino]-3,5-dinitro-besylic acid Formula: C16H18N4O9S MolecularWeight: 442.40052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O9S/c21-7-5-18(6-8-22)12-3-1-11(2-4-12)17-16-14(19(23)24)9-13(30(27,28)29)10-15(16)20(25)26/h1-4,9-10,17,21-22H,5-8H2,(H,27,28,29)