[4-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethoxy]phenyl] thiocyanate

Systemtic Name: [4-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethoxy]phenyl] thiocyanate Openeye Name: [4-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethoxy]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]phenyl] ester IUPAC Name: [4-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethoxy]phenyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCOC2=CC=C(C=C2)SC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCOC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C20H21NO4S/c1-3-4-18-19(10-9-17(14(2)22)20(18)23)25-12-11-24-15-5-7-16(8-6-15)26-13-21/h5-10,23H,3-4,11-12H2,1-2H3