cyclopentane; (3S,4S)-3-methanidyl-4-methyl-hexane; methanol; zirconium

Systemtic Name: cyclopentane; (3S,4S)-3-methanidyl-4-methyl-hexane; methanol; zirconium Openeye Name: cyclopentane; (3S,4S)-3-methanidyl-4-methyl-hexane; methanol; zirconium CAS Name: cyclopentane; (3S,4S)-3-methanidyl-4-methylhexane; methanol; zirconium IUPAC Name: cyclopentane; (3S,4S)-3-methanidyl-4-methylhexane; methanol; zirconium Traditional Name: cyclopentane; (3S,4S)-3-methanidyl-4-methyl-hexane; methanol; zirconium Formula: C19H31OZr- MolecularWeight: 366.67284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C([CH2-])CC.CO.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr]

Isomeric SMILES

CC[C@H](C)[C@@H]([CH2-])CC.CO.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr]

InChI

InChI=1S/C8H17.2C5H5.CH4O.Zr/c1-5-7(3)8(4)6-2;2*1-2-4-5-3-1;1-2;/h7-8H,3,5-6H2,1-2,4H3;2*1-5H;2H,1H3;/q-1;;;;/t7-,8-;;;;/m0..../s1