4,6,6-tris(3-methylbut-2-enyl)-5-oxidanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 4,6,6-tris(3-methylbut-2-enyl)-5-oxidanyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-hydroxy-4,6,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione CAS Name: 5-hydroxy-4,6,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione IUPAC Name: 5-hydroxy-4,6,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione Traditional Name: 5-hydroxy-4,6,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-quinone Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C(C(=O)CC1=O)(CC=C(C)C)CC=C(C)C)O)C

Isomeric SMILES

CC(=CCC1=C(C(C(=O)CC1=O)(CC=C(C)C)CC=C(C)C)O)C

InChI

InChI=1S/C21H30O3/c1-14(2)7-8-17-18(22)13-19(23)21(20(17)24,11-9-15(3)4)12-10-16(5)6/h7,9-10,24H,8,11-13H2,1-6H3