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4-[(E)-non-1-enyl]-2-(4-nonylphenyl)benzoate

4-[(E)-non-1-enyl]-2-(4-nonylphenyl)benzoate

Systemtic Name:4-[(E)-non-1-enyl]-2-(4-nonylphenyl)benzoate
Openeye Name:4-[(E)-non-1-enyl]-2-(4-nonylphenyl)benzoate
CAS Name:4-[(E)-non-1-enyl]-2-(4-nonylphenyl)benzoate
IUPAC Name:4-[(E)-non-1-enyl]-2-(4-nonylphenyl)benzoate
Traditional Name:4-[(E)-non-1-enyl]-2-(4-nonylphenyl)benzoate
Formula: C31H43O2-
MolecularWeight: 447.67192
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C=CCCCCCCC)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)/C=C/CCCCCCC)C(=O)[O-]


InChI

InChI=1S/C31H44O2/c1-3-5-7-9-11-13-15-17-26-19-22-28(23-20-26)30-25-27(21-24-29(30)31(32)33)18-16-14-12-10-8-6-4-2/h16,18-25H,3-15,17H2,1-2H3,(H,32,33)/p-1/b18-16+


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