3-cyanopropyl 5-(4-hydroxyphenyl)-2-oxidanyl-benzoate

Systemtic Name: 3-cyanopropyl 5-(4-hydroxyphenyl)-2-oxidanyl-benzoate Openeye Name: 3-cyanopropyl 2-hydroxy-5-(4-hydroxyphenyl)benzoate CAS Name: 2-hydroxy-5-(4-hydroxyphenyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-hydroxy-5-(4-hydroxyphenyl)benzoate Traditional Name: 2-hydroxy-5-(4-hydroxyphenyl)benzoic acid 3-cyanopropyl ester Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C=C2)O)C(=O)OCCCC#N)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)O)C(=O)OCCCC#N)O

InChI

InChI=1S/C17H15NO4/c18-9-1-2-10-22-17(21)15-11-13(5-8-16(15)20)12-3-6-14(19)7-4-12/h3-8,11,19-20H,1-2,10H2