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2-nonylquinoline hydrate

2-nonylquinoline hydrate

Systemtic Name:2-nonylquinoline hydrate
Openeye Name:2-nonylquinoline hydrate
CAS Name:2-nonylquinoline hydrate
IUPAC Name:2-nonylquinoline hydrate
Traditional Name:2-nonylquinoline hydrate
Formula: C36H52N2O
MolecularWeight: 528.81088
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC2=CC=CC=C2C=C1.CCCCCCCCCC1=NC2=CC=CC=C2C=C1.O


Isomeric SMILES

CCCCCCCCCC1=NC2=CC=CC=C2C=C1.CCCCCCCCCC1=NC2=CC=CC=C2C=C1.O


InChI

InChI=1S/2C18H25N.H2O/c2*1-2-3-4-5-6-7-8-12-17-15-14-16-11-9-10-13-18(16)19-17;/h2*9-11,13-15H,2-8,12H2,1H3;1H2


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