2-(9,9-didecyl-7-nitro-fluoren-2-yl)-1,3-benzothiazole

Systemtic Name: 2-(9,9-didecyl-7-nitro-fluoren-2-yl)-1,3-benzothiazole Openeye Name: 2-(9,9-didecyl-7-nitro-fluoren-2-yl)-1,3-benzothiazole CAS Name: 2-(9,9-didecyl-7-nitro-2-fluorenyl)-1,3-benzothiazole IUPAC Name: 2-(9,9-didecyl-7-nitrofluoren-2-yl)-1,3-benzothiazole Traditional Name: 2-(9,9-didecyl-7-nitro-fluoren-2-yl)-1,3-benzothiazole Formula: C40H52N2O2S MolecularWeight: 624.91808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C5=C1C=C(C=C5)[N+](=O)[O-])CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1(C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C5=C1C=C(C=C5)[N+](=O)[O-])CCCCCCCCCC

InChI

InChI=1S/C40H52N2O2S/c1-3-5-7-9-11-13-15-19-27-40(28-20-16-14-12-10-8-6-4-2)35-29-31(39-41-37-21-17-18-22-38(37)45-39)23-25-33(35)34-26-24-32(42(43)44)30-36(34)40/h17-18,21-26,29-30H,3-16,19-20,27-28H2,1-2H3