7,7-dimethyloctanal; 7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxidanylidenezinc; prop-1-ene; hydroxide; dihydrate

Systemtic Name: 7,7-dimethyloctanal; 7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxidanylidenezinc; prop-1-ene; hydroxide; dihydrate Openeye Name: 7,7-dimethyloctanal; 7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxozinc; prop-1-ene; hydroxide; dihydrate CAS Name: 7,7-dimethyloctanal; 7,7-dimethyl-1-octanone; 2-methanidyl-2-methylpropane; oxozinc; 1-propene; hydroxide; dihydrate IUPAC Name: 7,7-dimethyloctanal; 7,7-dimethyloctan-1-one; 2-methanidyl-2-methylpropane; oxozinc; prop-1-ene; hydroxide; dihydrate Traditional Name: 7,7-dimethylcaprylaldehyde; 7,7-dimethyloctan-1-one; ketozinc; 2-methanidyl-2-methyl-propane; prop-1-ene; hydroxide; dihydrate Formula: C41H84O7Zn-6 MolecularWeight: 754.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[CH2-].CC(C)(C)CCCCCC=O.CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.[CH2-]C=C.[CH2-]C=C.O.O.[OH-].O=[Zn]

Isomeric SMILES

CC(C)(C)[CH2-].CC(C)(C)CCCCCC=O.CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.[CH2-]C=C.[CH2-]C=C.O.O.[OH-].O=[Zn]

InChI

InChI=1S/C10H20O.2C10H19O.C5H11.2C3H5.3H2O.O.Zn/c3*1-10(2,3)8-6-4-5-7-9-11;1-5(2,3)4;2*1-3-2;;;;;/h9H,4-8H2,1-3H3;2*4-8H2,1-3H3;1H2,2-4H3;2*3H,1-2H2;3*1H2;;/q;5*-1;;;;;/p-1