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4-[(E)-non-1-enyl]-2-(4-nonoxyphenyl)benzoic acid

4-[(E)-non-1-enyl]-2-(4-nonoxyphenyl)benzoic acid

Systemtic Name:4-[(E)-non-1-enyl]-2-(4-nonoxyphenyl)benzoic acid
Openeye Name:4-[(E)-non-1-enyl]-2-(4-nonoxyphenyl)benzoic acid
CAS Name:4-[(E)-non-1-enyl]-2-(4-nonoxyphenyl)benzoic acid
IUPAC Name:4-[(E)-non-1-enyl]-2-(4-nonoxyphenyl)benzoic acid
Traditional Name:4-[(E)-non-1-enyl]-2-(4-nonoxyphenyl)benzoic acid
Formula: C31H44O3
MolecularWeight: 464.67926
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)C=CCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)/C=C/CCCCCCC)C(=O)O


InChI

InChI=1S/C31H44O3/c1-3-5-7-9-11-13-15-17-26-18-23-29(31(32)33)30(25-26)27-19-21-28(22-20-27)34-24-16-14-12-10-8-6-4-2/h15,17-23,25H,3-14,16,24H2,1-2H3,(H,32,33)/b17-15+


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