2-octan-4-ylphenolate

Systemtic Name: 2-octan-4-ylphenolate Openeye Name: 2-(1-propylpentyl)phenolate CAS Name: 2-octan-4-ylphenolate IUPAC Name: 2-octan-4-ylphenolate Traditional Name: 2-(1-propylpentyl)phenolate Formula: C14H21O- MolecularWeight: 205.31594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=CC=CC=C1[O-]

Isomeric SMILES

CCCCC(CCC)C1=CC=CC=C1[O-]

InChI

InChI=1S/C14H22O/c1-3-5-9-12(8-4-2)13-10-6-7-11-14(13)15/h6-7,10-12,15H,3-5,8-9H2,1-2H3/p-1