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    Technical details about Fatty acids, olive-oil, learn more about the structure, uses, toxicity, action, side effects and more

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    Fatty acids, olive-oil

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    2D Structure
    Also known as: Olive acid, Unii-n06wp8mka2, N06wp8mka2, Einecs 295-376-8, 92044-96-7
    Molecular Formula
    C88H164O10
    Molecular Weight
    1382.2  g/mol
    InChI Key
    LHVVWWADJUJFEH-HKNOZQPISA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    hexadecanoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid
    2.1.2 InChI
    InChI=1S/C18H36O2.C18H34O2.C18H32O2.C18H30O2.C16H32O2/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18)/b;10-9-;7-6-,10-9-;4-3-,7-6-,10-9-;
    2.1.3 InChI Key
    LHVVWWADJUJFEH-HKNOZQPISA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCCCCCCCC(=O)O.CCC=CCC=CCC=CCCCCCCCC(=O)O
    2.1.5 Isomeric SMILES
    CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Olive Acid

    2. Unii-n06wp8mka2

    3. N06wp8mka2

    4. Einecs 295-376-8

    5. 92044-96-7

    2.3 Create Date
    2018-05-13
    3 Chemical and Physical Properties
    Molecular Weight 1382.2 g/mol
    Molecular Formula C88H164O10
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count72
    Exact Mass1381.23245142 g/mol
    Monoisotopic Mass1381.23245142 g/mol
    Topological Polar Surface Area187 Ų
    Heavy Atom Count98
    Formal Charge0
    Complexity1180
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count6
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5