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

Systemtic Name: [4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl] thiocyanate Openeye Name: [4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl] ester IUPAC Name: [4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)SC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C21H23NO4S/c1-3-5-19-20(11-10-18(15(2)23)21(19)24)26-13-4-12-25-16-6-8-17(9-7-16)27-14-22/h6-11,24H,3-5,12-13H2,1-2H3