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3-[(dihexadecylamino)methyl]-N-oxidanylidene-benzenecarboximidamide; ethanoic acid

3-[(dihexadecylamino)methyl]-N-oxidanylidene-benzenecarboximidamide; ethanoic acid

Systemtic Name:3-[(dihexadecylamino)methyl]-N-oxidanylidene-benzenecarboximidamide; ethanoic acid
Openeye Name:acetic acid; 3-[(dihexadecylamino)methyl]-N-oxo-benzamidine
CAS Name:acetic acid; 3-[(dihexadecylamino)methyl]-N-oxobenzenecarboximidamide
IUPAC Name:acetic acid; 3-[(dihexadecylamino)methyl]-N-oxobenzenecarboximidamide
Traditional Name:acetic acid; 3-[(dicetylamino)methyl]-N-keto-benzamidine
Formula: C42H77N3O3
MolecularWeight: 672.07908
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC1=CC=CC(=C1)C(=N)N=O.CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC1=CC=CC(=C1)C(=N)N=O.CC(=O)O


InChI

InChI=1S/C40H73N3O.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-43(37-38-32-31-33-39(36-38)40(41)42-44)35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h31-33,36,41H,3-30,34-35,37H2,1-2H3;1H3,(H,3,4)


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