2-(3-butyl-4-oxidanyl-phenyl)benzoate

Systemtic Name: 2-(3-butyl-4-oxidanyl-phenyl)benzoate Openeye Name: 2-(3-butyl-4-hydroxy-phenyl)benzoate CAS Name: 2-(3-butyl-4-hydroxyphenyl)benzoate IUPAC Name: 2-(3-butyl-4-hydroxyphenyl)benzoate Traditional Name: 2-(3-butyl-4-hydroxy-phenyl)benzoate Formula: C17H17O3- MolecularWeight: 269.31508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C2=CC=CC=C2C(=O)[O-])O

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C2=CC=CC=C2C(=O)[O-])O

InChI

InChI=1S/C17H18O3/c1-2-3-6-13-11-12(9-10-16(13)18)14-7-4-5-8-15(14)17(19)20/h4-5,7-11,18H,2-3,6H2,1H3,(H,19,20)/p-1