(E)-4-ethoxy-4-oxidanyl-but-3-en-2-one; methanimine; titanium(2+)

Systemtic Name: (E)-4-ethoxy-4-oxidanyl-but-3-en-2-one; methanimine; titanium(2+) Openeye Name: (E)-4-ethoxy-4-hydroxy-but-3-en-2-one; methanimine; titanium(2+) CAS Name: (E)-4-ethoxy-4-hydroxy-3-buten-2-one; methanimine; titanium(2+) IUPAC Name: (E)-4-ethoxy-4-hydroxybut-3-en-2-one; methanimine; titanium(2+) Traditional Name: (E)-4-ethoxy-4-hydroxy-but-3-en-2-one; methanidylideneamine; titanium(2+) Formula: C8H14N2O3Ti MolecularWeight: 234.07536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)C)O.[CH-]=N.[CH-]=N.[Ti+2]

Isomeric SMILES

CCO/C(=C/C(=O)C)/O.[CH-]=N.[CH-]=N.[Ti+2]

InChI

InChI=1S/C6H10O3.2CH2N.Ti/c1-3-9-6(8)4-5(2)7;2*1-2;/h4,8H,3H2,1-2H3;2*1-2H;/q;2*-1;+2/b6-4+;;;