4,4-bis(azanyl)icos-1-en-3-one; titanium; tetrahydrate

Systemtic Name: 4,4-bis(azanyl)icos-1-en-3-one; titanium; tetrahydrate Openeye Name: 4,4-diaminoicos-1-en-3-one; titanium; tetrahydrate CAS Name: 4,4-diamino-1-eicosen-3-one; titanium; tetrahydrate IUPAC Name: 4,4-diaminoicos-1-en-3-one; titanium; tetrahydrate Traditional Name: 4,4-diaminoeicos-1-en-3-one; titanium; tetrahydrate Formula: C20H48N2O5Ti MolecularWeight: 444.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)C=C)(N)N.O.O.O.O.[Ti]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)C=C)(N)N.O.O.O.O.[Ti]

InChI

InChI=1S/C20H40N2O.4H2O.Ti/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21,22)19(23)4-2;;;;;/h4H,2-3,5-18,21-22H2,1H3;4*1H2;