[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-oxidanylidene-propanoyl]-1-ethyl-pyrrol-3-yl] thiocyanate

Systemtic Name: [4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-oxidanylidene-propanoyl]-1-ethyl-pyrrol-3-yl] thiocyanate Openeye Name: [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-oxo-propanoyl]-1-ethyl-pyrrol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-dioxopropyl]-1-ethyl-3-pyrrolyl] ester IUPAC Name: [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxopropanoyl]-1-ethylpyrrol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-keto-propanoyl]-1-ethyl-pyrrol-3-yl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=C1)SC#N)C(=O)CC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCN1C=C(C(=C1)SC#N)C(=O)CC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C24H30N2O3S/c1-8-26-12-16(21(13-26)30-14-25)20(28)11-19(27)15-9-17(23(2,3)4)22(29)18(10-15)24(5,6)7/h9-10,12-13,29H,8,11H2,1-7H3