3-hex-1-ynyl-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-hex-1-ynyl-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-hex-1-ynyl-4-isopropoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-hex-1-ynyl-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: 3-hex-1-ynyl-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: 3-hex-1-ynyl-4-isopropoxy-cyclobut-3-ene-1,2-quinone Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C(=O)C1=O)OC(C)C

Isomeric SMILES

CCCCC#CC1=C(C(=O)C1=O)OC(C)C

InChI

InChI=1S/C13H16O3/c1-4-5-6-7-8-10-11(14)12(15)13(10)16-9(2)3/h9H,4-6H2,1-3H3