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aluminum; phthalate; tridecane

aluminum; phthalate; tridecane

Systemtic Name:aluminum; phthalate; tridecane
Openeye Name:aluminum; phthalate; tridecane
CAS Name:aluminum; phthalate; tridecane
IUPAC Name:aluminum; phthalate; tridecane
Traditional Name:aluminum; phthalate; tridecane
Formula: C63H93AlO12-6
MolecularWeight: 1069.386858
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[CH2].CCCCCCCCCCCC[CH2].CCCCCCCCCCCC[CH2].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Al]


Isomeric SMILES

CCCCCCCCCCCC[CH2].CCCCCCCCCCCC[CH2].CCCCCCCCCCCC[CH2].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Al]


InChI

InChI=1S/3C13H27.3C8H6O4.Al/c3*1-3-5-7-9-11-13-12-10-8-6-4-2;3*9-7(10)5-3-1-2-4-6(5)8(11)12;/h3*1,3-13H2,2H3;3*1-4H,(H,9,10)(H,11,12);/p-6


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