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

Systemtic Name: 3-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]propyl thiocyanate Openeye Name: 3-[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]propyl thiocyanate CAS Name: thiocyanic acid 3-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]propyl ester IUPAC Name: 3-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]propyl thiocyanate Traditional Name: thiocyanic acid 3-[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]propyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)CCCSC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)CCCSC#N

InChI

InChI=1S/C22H25NO3S/c1-3-5-20-21(12-11-19(16(2)24)22(20)25)26-14-18-9-7-17(8-10-18)6-4-13-27-15-23/h7-12,25H,3-6,13-14H2,1-2H3