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carboxy 2,6-dioctyl-3,4-diphenyl-benzoate

carboxy 2,6-dioctyl-3,4-diphenyl-benzoate

Systemtic Name:carboxy 2,6-dioctyl-3,4-diphenyl-benzoate
Openeye Name:carboxy 2,6-dioctyl-3,4-diphenyl-benzoate
CAS Name:2,6-dioctyl-3,4-diphenylbenzoic acid carboxy ester
IUPAC Name:carboxy 2,6-dioctyl-3,4-diphenylbenzoate
Traditional Name:2,6-dioctyl-3,4-diphenyl-benzoic acid carboxy ester
Formula: C36H46O4
MolecularWeight: 542.74804
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CCCCCCCC)C(=O)OC(=O)O


Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CCCCCCCC)C(=O)OC(=O)O


InChI

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


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