4,5-dinitro-9H-fluorene-2,7-disulfonate; quinolin-1-ium

Systemtic Name: 4,5-dinitro-9H-fluorene-2,7-disulfonate; quinolin-1-ium Openeye Name: 4,5-dinitro-9H-fluorene-2,7-disulfonate; quinolin-1-ium CAS Name: 4,5-dinitro-9H-fluorene-2,7-disulfonate; quinolin-1-ium IUPAC Name: 4,5-dinitro-9H-fluorene-2,7-disulfonate; quinolin-1-ium Traditional Name: 4,5-dinitro-9H-fluorene-2,7-disulfonate; quinolin-1-ium Formula: C31H22N4O10S2 MolecularWeight: 674.65718

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2C3=C(C=C(C=C31)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

C1C2=CC(=CC(=C2C3=C(C=C(C=C31)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/C13H8N2O10S2.2C9H7N/c16-14(17)10-4-8(26(20,21)22)2-6-1-7-3-9(27(23,24)25)5-11(15(18)19)13(7)12(6)10;2*1-2-6-9-8(4-1)5-3-7-10-9/h2-5H,1H2,(H,20,21,22)(H,23,24,25);2*1-7H