(2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl hexanoate; pyridin-1-ium; bromide

Systemtic Name: (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl hexanoate; pyridin-1-ium; bromide Openeye Name: (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl hexanoate; pyridin-1-ium; bromide CAS Name: hexanoic acid (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl ester; pyridin-1-ium; bromide IUPAC Name: (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl hexanoate; pyridin-1-ium; bromide Traditional Name: hexanoic acid (2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl ester; pyridin-1-ium; bromide Formula: C25H44BrNO4 MolecularWeight: 502.52516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(OCC(O1)COC(=O)CCCCC)C.C1=CC=[NH+]C=C1.[Br-]

Isomeric SMILES

CCCCCCCCCC1(OCC(O1)COC(=O)CCCCC)C.C1=CC=[NH+]C=C1.[Br-]

InChI

InChI=1S/C20H38O4.C5H5N.BrH/c1-4-6-8-9-10-11-13-15-20(3)23-17-18(24-20)16-22-19(21)14-12-7-5-2;1-2-4-6-5-3-1;/h18H,4-17H2,1-3H3;1-5H;1H