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

Systemtic Name: 3-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-4-oxidanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-4-hydroxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[(2,6-ditert-butyl-4-thiopyranylidene)methyl]-4-hydroxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-4-hydroxycyclobut-3-ene-1,2-dione Traditional Name: 3-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-4-hydroxy-cyclobut-3-ene-1,2-quinone Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC2=C(C(=O)C2=O)O)C=C(S1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC2=C(C(=O)C2=O)O)C=C(S1)C(C)(C)C

InChI

InChI=1S/C18H22O3S/c1-17(2,3)12-8-10(9-13(22-12)18(4,5)6)7-11-14(19)16(21)15(11)20/h7-9,19H,1-6H3