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

Systemtic Name: [2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]methyl thiocyanate Openeye Name: [2-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]methyl thiocyanate CAS Name: thiocyanic acid [2-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methyl ester IUPAC Name: [2-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methyl thiocyanate Traditional Name: thiocyanic acid [2-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]benzyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC=C2CSC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC=C2CSC#N

InChI

InChI=1S/C20H21NO3S/c1-3-6-18-19(10-9-17(14(2)22)20(18)23)24-11-15-7-4-5-8-16(15)12-25-13-21/h4-5,7-10,23H,3,6,11-12H2,1-2H3