4-(9,9-dihexyl-7-methyl-fluoren-2-yl)-7-methyl-2,1,3-benzothiadiazole

Systemtic Name: 4-(9,9-dihexyl-7-methyl-fluoren-2-yl)-7-methyl-2,1,3-benzothiadiazole Openeye Name: 4-(9,9-dihexyl-7-methyl-fluoren-2-yl)-7-methyl-2,1,3-benzothiadiazole CAS Name: 4-(9,9-dihexyl-7-methyl-2-fluorenyl)-7-methyl-2,1,3-benzothiadiazole IUPAC Name: 4-(9,9-dihexyl-7-methylfluoren-2-yl)-7-methyl-2,1,3-benzothiadiazole Traditional Name: 4-(9,9-dihexyl-7-methyl-fluoren-2-yl)-7-methyl-piazthiole Formula: C33H40N2S MolecularWeight: 496.7491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C4=CC=C(C5=NSN=C45)C)CCCCCC

Isomeric SMILES

CCCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C4=CC=C(C5=NSN=C45)C)CCCCCC

InChI

InChI=1S/C33H40N2S/c1-5-7-9-11-19-33(20-12-10-8-6-2)29-21-23(3)13-16-27(29)28-18-15-25(22-30(28)33)26-17-14-24(4)31-32(26)35-36-34-31/h13-18,21-22H,5-12,19-20H2,1-4H3