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

Systemtic Name: [4-(4-butyl-3,5-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)carbonyl-1H-pyrrol-2-yl] thiocyanate Openeye Name: [4-(4-butyl-3,5-ditert-butyl-4-hydroxy-cyclohexa-2,5-diene-1-carbonyl)-1H-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[(4-butyl-3,5-ditert-butyl-4-hydroxy-1-cyclohexa-2,5-dienyl)-oxomethyl]-1H-pyrrol-2-yl] ester IUPAC Name: [4-(4-butyl-3,5-ditert-butyl-4-hydroxycyclohexa-2,5-diene-1-carbonyl)-1H-pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(4-butyl-3,5-ditert-butyl-4-hydroxy-cyclohexa-2,5-diene-1-carbonyl)-1H-pyrrol-2-yl] ester Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=CC(C=C1C(C)(C)C)C(=O)C2=CNC(=C2)SC#N)C(C)(C)C)O

Isomeric SMILES

CCCCC1(C(=CC(C=C1C(C)(C)C)C(=O)C2=CNC(=C2)SC#N)C(C)(C)C)O

InChI

InChI=1S/C24H34N2O2S/c1-8-9-10-24(28)18(22(2,3)4)11-16(12-19(24)23(5,6)7)21(27)17-13-20(26-14-17)29-15-25/h11-14,16,26,28H,8-10H2,1-7H3