aluminum 4-nonylphenolate

Systemtic Name: aluminum 4-nonylphenolate Openeye Name: aluminum 4-nonylphenolate CAS Name: aluminum 4-nonylphenolate IUPAC Name: aluminum 4-nonylphenolate Traditional Name: aluminum 4-nonylphenolate Formula: C45H69AlO3 MolecularWeight: 685.009098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)[O-].CCCCCCCCCC1=CC=C(C=C1)[O-].CCCCCCCCCC1=CC=C(C=C1)[O-].[Al+3]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)[O-].CCCCCCCCCC1=CC=C(C=C1)[O-].CCCCCCCCCC1=CC=C(C=C1)[O-].[Al+3]

InChI

InChI=1S/3C15H24O.Al/c3*1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;/h3*10-13,16H,2-9H2,1H3;/q;;;+3/p-3