[1-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-pyrrol-2-yl] thiocyanate

Systemtic Name: [1-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-pyrrol-2-yl] thiocyanate Openeye Name: [1-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-2-pyrrolyl] ester IUPAC Name: [1-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-2-yl] ester Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCN1C=C(C=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C24H32N2O2S/c1-8-9-10-26-14-17(13-20(26)29-15-25)21(27)16-11-18(23(2,3)4)22(28)19(12-16)24(5,6)7/h11-14,28H,8-10H2,1-7H3