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Bisdequalinium diacetate
[CAS# 16776-40-2]

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CAS#: 16776-40-2
Product: Bisdequalinium diacetate
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Identification
Name Bisdequalinium diacetate
Synonyms Bisdequalinium Diacetate; Bisdequalinium Diacetate (Jan); D01509
Molecular Structure CAS#: 16776-40-2, Bisdequalinium diacetate
Molecular Formula C44H64N4O4
Molecular Weight 713.01
CAS Registry Number 16776-40-2
SMILES [N+]12=C5C(=C(C=C1C)NCCCCCCCCCCNC3=C4C(=[N+](CCCCCCCCCC2)C(=C3)C)C=CC=C4)C=CC=C5.CC(=O)[O-].CC(=O)[O-]
InChI 1S/C40H56N4.2C2H4O2/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37;2*1-2(3)4/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3;2*1H3,(H,3,4)
InChIKey GCWKUHNKKWYKOP-UHFFFAOYSA-N
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