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2-carboxy-4-octoxy-3-(4-phenylphenyl)benzoate

2-carboxy-4-octoxy-3-(4-phenylphenyl)benzoate

Systemtic Name:2-carboxy-4-octoxy-3-(4-phenylphenyl)benzoate
Openeye Name:2-carboxy-4-octoxy-3-(4-phenylphenyl)benzoate
CAS Name:2-carboxy-4-octoxy-3-(4-phenylphenyl)benzoate
IUPAC Name:2-carboxy-4-octoxy-3-(4-phenylphenyl)benzoate
Traditional Name:2-carboxy-4-octoxy-3-(4-phenylphenyl)benzoate
Formula: C28H29O5-
MolecularWeight: 445.52686
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3


Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3


InChI

InChI=1S/C28H30O5/c1-2-3-4-5-6-10-19-33-24-18-17-23(27(29)30)26(28(31)32)25(24)22-15-13-21(14-16-22)20-11-8-7-9-12-20/h7-9,11-18H,2-6,10,19H2,1H3,(H,29,30)(H,31,32)/p-1


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