2-methanidyl-2-methyl-propane; prop-1-ene; 3-sulfanylpropan-1-ol; zirconium; hydrate

Systemtic Name: 2-methanidyl-2-methyl-propane; prop-1-ene; 3-sulfanylpropan-1-ol; zirconium; hydrate Openeye Name: 2-methanidyl-2-methyl-propane; prop-1-ene; 3-sulfanylpropan-1-ol; zirconium; hydrate CAS Name: 3-mercapto-1-propanol; 2-methanidyl-2-methylpropane; 1-propene; zirconium; hydrate IUPAC Name: 2-methanidyl-2-methylpropane; prop-1-ene; 3-sulfanylpropan-1-ol; zirconium; hydrate Traditional Name: 3-mercaptopropan-1-ol; 2-methanidyl-2-methyl-propane; prop-1-ene; zirconium; hydrate Formula: C17H39O3S2Zr-3 MolecularWeight: 446.84376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[CH2-].[CH2-]C=C.[CH2-]C=C.C(CO)CS.C(CO)CS.O.[Zr]

Isomeric SMILES

CC(C)(C)[CH2-].[CH2-]C=C.[CH2-]C=C.C(CO)CS.C(CO)CS.O.[Zr]

InChI

InChI=1S/C5H11.2C3H8OS.2C3H5.H2O.Zr/c1-5(2,3)4;2*4-2-1-3-5;2*1-3-2;;/h1H2,2-4H3;2*4-5H,1-3H2;2*3H,1-2H2;1H2;/q-1;;;2*-1;;