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

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

Systemtic Name:4-[(E)-non-1-enyl]-2-(4-octoxyphenyl)benzoic acid
Openeye Name:4-[(E)-non-1-enyl]-2-(4-octoxyphenyl)benzoic acid
CAS Name:4-[(E)-non-1-enyl]-2-(4-octoxyphenyl)benzoic acid
IUPAC Name:4-[(E)-non-1-enyl]-2-(4-octoxyphenyl)benzoic acid
Traditional Name:4-[(E)-non-1-enyl]-2-(4-octoxyphenyl)benzoic acid
Formula: C30H42O3
MolecularWeight: 450.65268
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)C=CCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)/C=C/CCCCCCC)C(=O)O


InChI

InChI=1S/C30H42O3/c1-3-5-7-9-11-12-14-16-25-17-22-28(30(31)32)29(24-25)26-18-20-27(21-19-26)33-23-15-13-10-8-6-4-2/h14,16-22,24H,3-13,15,23H2,1-2H3,(H,31,32)/b16-14+


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