CAS Registry Number®
303-97-9
CAS Name
Ubiquinone 9
Molecular Formula
C54H82O4
Molecular Mass
795.23
Compound Properties
-
Melting Point (1)
45 °C
Source(s)
- (1) Ruegg, R.; Helvetica Chimica Acta, (1959), 42, 2616-21, CAplus
Other Names and Identifiers
InChI
InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+
InChIKey
InChIKey=UUGXJSBPSRROMU-WJNLUYJISA-N
SMILES
C(/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)C=1C(=O)C(OC)=C(OC)C(=O)C1C
Canonical SMILES
O=C1C(OC)=C(OC)C(=O)C(=C1C)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Other Names for this Substance
- 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-
- Coenzyme Q9
- p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-
- 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all–E)-
- 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl]-
- 2,3-Dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-2,5-cyclohexadiene-1,4-dione
- Ubiquinone Q9
- Ubiquinone 9
- Ubiquinone 45
- CoQ9
- NSC 226993
Deleted or Replaced CAS Registry Numbers
13115-54-3, 35682-61-2, 2746357-90-2
