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3-octacosan-11-ylphthalate

3-octacosan-11-ylphthalate

Systemtic Name:3-octacosan-11-ylphthalate
Openeye Name:3-(1-decyloctadecyl)phthalate
CAS Name:3-octacosan-11-ylphthalate
IUPAC Name:3-octacosan-11-ylphthalate
Traditional Name:3-(1-decyloctadecyl)phthalate
Formula: C36H60O4-2
MolecularWeight: 556.8592
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C36H62O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-28-31(27-24-22-20-12-10-8-6-4-2)32-29-26-30-33(35(37)38)34(32)36(39)40/h26,29-31H,3-25,27-28H2,1-2H3,(H,37,38)(H,39,40)/p-2


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