2,6-ditert-butyl-4-[(5-ethylthiophen-2-yl)-phenyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[(5-ethylthiophen-2-yl)-phenyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[(5-ethyl-2-thienyl)-phenyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[(5-ethyl-2-thiophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[(5-ethylthiophen-2-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[(5-ethyl-2-thienyl)-phenyl-methylene]cyclohexa-2,5-dien-1-one Formula: C27H32OS MolecularWeight: 404.60738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(S1)C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H32OS/c1-8-20-14-15-23(29-20)24(18-12-10-9-11-13-18)19-16-21(26(2,3)4)25(28)22(17-19)27(5,6)7/h9-17H,8H2,1-7H3