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3-heptyl-4-octyl-phthalate

3-heptyl-4-octyl-phthalate

Systemtic Name:3-heptyl-4-octyl-phthalate
Openeye Name:3-heptyl-4-octyl-phthalate
CAS Name:3-heptyl-4-octylphthalate
IUPAC Name:3-heptyl-4-octylphthalate
Traditional Name:3-heptyl-4-octyl-phthalate
Formula: C23H34O4-2
MolecularWeight: 374.51366
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCC


Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCC


InChI

InChI=1S/C23H36O4/c1-3-5-7-9-11-12-14-18-16-17-20(22(24)25)21(23(26)27)19(18)15-13-10-8-6-4-2/h16-17H,3-15H2,1-2H3,(H,24,25)(H,26,27)/p-2


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