3-butoxy-4-[1-(2,6-ditert-butylthiopyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-butoxy-4-[1-(2,6-ditert-butylthiopyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-dione Openeye Name: 3-butoxy-4-[1-(2,6-ditert-butylthiopyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-dione CAS Name: 3-butoxy-4-[1-(2,6-ditert-butyl-4-thiopyranylidene)ethyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-butoxy-4-[1-(2,6-ditert-butylthiopyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-dione Traditional Name: 3-butoxy-4-[1-(2,6-ditert-butylthiopyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-quinone Formula: C23H32O3S MolecularWeight: 388.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=O)C1=O)C(=C2C=C(SC(=C2)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CCCCOC1=C(C(=O)C1=O)C(=C2C=C(SC(=C2)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C23H32O3S/c1-9-10-11-26-21-18(19(24)20(21)25)14(2)15-12-16(22(3,4)5)27-17(13-15)23(6,7)8/h12-13H,9-11H2,1-8H3