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3,4-dioctyl-5,6-diphenyl-phthalate

3,4-dioctyl-5,6-diphenyl-phthalate

Systemtic Name:3,4-dioctyl-5,6-diphenyl-phthalate
Openeye Name:3,4-dioctyl-5,6-diphenyl-phthalate
CAS Name:3,4-dioctyl-5,6-diphenylphthalate
IUPAC Name:3,4-dioctyl-5,6-diphenylphthalate
Traditional Name:3,4-dioctyl-5,6-diphenyl-phthalate
Formula: C36H44O4-2
MolecularWeight: 540.73216
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])CCCCCCCC


Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])CCCCCCCC


InChI

InChI=1S/C36H46O4/c1-3-5-7-9-11-19-25-29-30(26-20-12-10-8-6-4-2)33(35(37)38)34(36(39)40)32(28-23-17-14-18-24-28)31(29)27-21-15-13-16-22-27/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3,(H,37,38)(H,39,40)/p-2


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