(Z)-4-(2-chloranyl-5-methyl-1,3,2-oxazalumolidin-3-yl)pent-3-en-2-one

Systemtic Name: (Z)-4-(2-chloranyl-5-methyl-1,3,2-oxazalumolidin-3-yl)pent-3-en-2-one Openeye Name: (Z)-4-(2-chloro-5-methyl-1,3,2-oxazalumolidin-3-yl)pent-3-en-2-one CAS Name: (Z)-4-(2-chloro-5-methyl-1,3,2-oxazalumolidin-3-yl)-3-penten-2-one IUPAC Name: (Z)-4-(2-chloro-5-methyl-1,3,2-oxazalumolidin-3-yl)pent-3-en-2-one Traditional Name: (Z)-4-(2-chloro-5-methyl-1-oxa-3-aza-2-aluminacyclopent-3-yl)pent-3-en-2-one Formula: C16H26Al2Cl2N2O4 MolecularWeight: 435.257716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN([Al](O1)Cl)C(=CC(=O)C)C.CC1CN([Al](O1)Cl)C(=CC(=O)C)C

Isomeric SMILES

CC1O[Al](N(C1)/C(=C\C(=O)C)/C)Cl.CC1O[Al](N(C1)/C(=C\C(=O)C)/C)Cl

InChI

InChI=1S/2C8H14NO2.2Al.2ClH/c2*1-6(4-7(2)10)9-5-8(3)11;;;;/h2*4,8H,5H2,1-3H3,(H,9,10);;;2*1H/q2*-1;2*+3;;/p-4