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docosanoate; phthalazine

Systemtic Name:	docosanoate; phthalazine
Openeye Name:	docosanoate; phthalazine
CAS Name:	docosanoate; phthalazine
IUPAC Name:	docosanoate; phthalazine
Traditional Name:	behenate; phthalazine
Formula:	C₃₀H₄₉N₂O₂-
MolecularWeight:	469.72226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C2C=NN=CC2=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C2C=NN=CC2=C1

InChI

InChI=1S/C22H44O2.C8H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-4-8-6-10-9-5-7(8)3-1/h2-21H2,1H3,(H,23,24);1-6H/p-1

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