9,9-dibutyl-7-nitro-fluorene-2-sulfonic acid

Systemtic Name: 9,9-dibutyl-7-nitro-fluorene-2-sulfonic acid Openeye Name: 9,9-dibutyl-7-nitro-fluorene-2-sulfonic acid CAS Name: 9,9-dibutyl-7-nitro-2-fluorenesulfonic acid IUPAC Name: 9,9-dibutyl-7-nitrofluorene-2-sulfonic acid Traditional Name: 9,9-dibutyl-7-nitro-fluorene-2-sulfonic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)S(=O)(=O)O)CCCC

Isomeric SMILES

CCCCC1(C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)S(=O)(=O)O)CCCC

InChI

InChI=1S/C21H25NO5S/c1-3-5-11-21(12-6-4-2)19-13-15(22(23)24)7-9-17(19)18-10-8-16(14-20(18)21)28(25,26)27/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26,27)