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5-(3-carboxyphenyl)carbonyl-2-decoxy-benzoic acid

5-(3-carboxyphenyl)carbonyl-2-decoxy-benzoic acid

Systemtic Name:5-(3-carboxyphenyl)carbonyl-2-decoxy-benzoic acid
Openeye Name:5-(3-carboxybenzoyl)-2-decoxy-benzoic acid
CAS Name:5-[(3-carboxyphenyl)-oxomethyl]-2-decoxybenzoic acid
IUPAC Name:5-(3-carboxybenzoyl)-2-decoxybenzoic acid
Traditional Name:5-(3-carboxybenzoyl)-2-decoxy-benzoic acid
Formula: C25H30O6
MolecularWeight: 426.5021
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)C(=O)O


InChI

InChI=1S/C25H30O6/c1-2-3-4-5-6-7-8-9-15-31-22-14-13-19(17-21(22)25(29)30)23(26)18-11-10-12-20(16-18)24(27)28/h10-14,16-17H,2-9,15H2,1H3,(H,27,28)(H,29,30)


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