2-(3-methylbutanoyl)-4,4,6-tris(3-methylbut-2-enyl)-5-oxidanyl-3-oxidanylidene-cyclohexa-1,5-dien-1-olate

Systemtic Name: 2-(3-methylbutanoyl)-4,4,6-tris(3-methylbut-2-enyl)-5-oxidanyl-3-oxidanylidene-cyclohexa-1,5-dien-1-olate Openeye Name: 5-hydroxy-2-(3-methylbutanoyl)-4,4,6-tris(3-methylbut-2-enyl)-3-oxo-cyclohexa-1,5-dien-1-olate CAS Name: 5-hydroxy-4,4,6-tris(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-3-oxo-1-cyclohexa-1,5-dienolate IUPAC Name: 5-hydroxy-2-(3-methylbutanoyl)-4,4,6-tris(3-methylbut-2-enyl)-3-oxocyclohexa-1,5-dien-1-olate Traditional Name: 5-hydroxy-2-isovaleryl-3-keto-4,4,6-tris(3-methylbut-2-enyl)cyclohexa-1,5-dien-1-olate Formula: C26H37O4- MolecularWeight: 413.56958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)[O-]

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)[O-]

InChI

InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28-29H,10,13-15H2,1-8H3/p-1