2-[[3-(3-oxidanylbut-1-ynyl)phenoxy]methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[[3-(3-oxidanylbut-1-ynyl)phenoxy]methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[3-(3-hydroxybut-1-ynyl)phenoxy]methyl]-1,4-benzoquinone CAS Name: 2-[[3-(3-hydroxybut-1-ynyl)phenoxy]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[3-(3-hydroxybut-1-ynyl)phenoxy]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[[3-(3-hydroxybut-1-ynyl)phenoxy]methyl]-p-benzoquinone Formula: C17H14O4 MolecularWeight: 282.29066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)OCC2=CC(=O)C=CC2=O)O

Isomeric SMILES

CC(C#CC1=CC(=CC=C1)OCC2=CC(=O)C=CC2=O)O

InChI

InChI=1S/C17H14O4/c1-12(18)5-6-13-3-2-4-16(9-13)21-11-14-10-15(19)7-8-17(14)20/h2-4,7-10,12,18H,11H2,1H3