2-octan-2-yloxy-5-oxidanyl-benzenecarbonitrile; 2-phenylbenzoic acid

Systemtic Name: 2-octan-2-yloxy-5-oxidanyl-benzenecarbonitrile; 2-phenylbenzoic acid Openeye Name: 5-hydroxy-2-(1-methylheptoxy)benzonitrile; 2-phenylbenzoic acid CAS Name: 5-hydroxy-2-octan-2-yloxybenzonitrile; 2-phenylbenzoic acid IUPAC Name: 5-hydroxy-2-octan-2-yloxybenzonitrile; 2-phenylbenzoic acid Traditional Name: 5-hydroxy-2-(1-methylheptoxy)benzonitrile; 2-phenylbenzoic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)O)C#N.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)O)C#N.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H21NO2.C13H10O2/c1-3-4-5-6-7-12(2)18-15-9-8-14(17)10-13(15)11-16;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h8-10,12,17H,3-7H2,1-2H3;1-9H,(H,14,15)