Structure Information
Structure

Compound Identification

SMILES

[Ti].CC[OH2+].CC(=[OH+])[CH-]C(=[OH+])C1=CC=CC=C1.CC(=[OH+])[CH-]C(=[OH+])C1=CC=CC=C1.CC(C)CCCC(C)C1CCC2C3CC=C4CC([OH2+])CCC4(C)C3CCC12C

InChIKey

InChIKey=NNOMILFQLOIOFZ-UHFFFAOYSA-T

Formula

C49H76O6Ti

Mass

809.006

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Entity with smiles [Ti].CC[OH2+].CC(=[OH+])[CH-]C(=[OH+])C1=CC=CC=C1.CC(=[OH+])[CH-]C(=[OH+])C1=CC=CC=C1.CC(C)CCCC(C)C1CCC2C3CC=C4CC([OH2+])CCC4(C)C3CCC12C has not been classified yet.

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