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3-(4-carboxyphenyl)-2,6-dioctyl-4-phenyl-benzoic acid

3-(4-carboxyphenyl)-2,6-dioctyl-4-phenyl-benzoic acid

Systemtic Name:3-(4-carboxyphenyl)-2,6-dioctyl-4-phenyl-benzoic acid
Openeye Name:3-(4-carboxyphenyl)-2,6-dioctyl-4-phenyl-benzoic acid
CAS Name:3-(4-carboxyphenyl)-2,6-dioctyl-4-phenylbenzoic acid
IUPAC Name:3-(4-carboxyphenyl)-2,6-dioctyl-4-phenylbenzoic acid
Traditional Name:3-(4-carboxyphenyl)-2,6-dioctyl-4-phenyl-benzoic acid
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=C(C=C3)C(=O)O)CCCCCCCC)C(=O)O


Isomeric SMILES

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


InChI

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


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