2-[4-(2-fluoranyloctylperoxy)phenyl]-6-hexyl-1,3-benzothiazole

Systemtic Name: 2-[4-(2-fluoranyloctylperoxy)phenyl]-6-hexyl-1,3-benzothiazole Openeye Name: 2-[4-(2-fluorooctylperoxy)phenyl]-6-hexyl-1,3-benzothiazole CAS Name: 2-[4-(2-fluorooctyldioxy)phenyl]-6-hexyl-1,3-benzothiazole IUPAC Name: 2-[4-(2-fluorooctylperoxy)phenyl]-6-hexyl-1,3-benzothiazole Traditional Name: 2-[4-(2-fluorooctylperoxy)phenyl]-6-hexyl-1,3-benzothiazole Formula: C27H36FNO2S MolecularWeight: 457.643643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OOCC(CCCCCC)F

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OOCC(CCCCCC)F

InChI

InChI=1S/C27H36FNO2S/c1-3-5-7-9-11-21-13-18-25-26(19-21)32-27(29-25)22-14-16-24(17-15-22)31-30-20-23(28)12-10-8-6-4-2/h13-19,23H,3-12,20H2,1-2H3