Acetic Acid, ((5-Methyl-2-(1-Methylethyl)Cyclohexyl)Oxy)-, 7,8-Dihydro Benzo(A)Pyrene-7,8-Diyl Ester
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Product Description
Product
Acetic Acid, ((5-Methyl-2-(1-Methylethyl)Cyclohexyl)Oxy)-, 7,8-Dihydro Benzo(A)Pyrene-7,8-Diyl Ester
CAS
97388-52-8
Formula
C44H54O6
Typical Product Specifications
SMILES
c12c(cc3ccc4cccc5ccc1c3c45)[C@@H]([C@@H](C=C2)OC(CO[C@@H]1[C@@H](CC[C@@H](C1)C)C(C)C)=O)OC(CO[C@@H]1[C@@H](CC[C@@H](C1)C)C(C)C)=O
InChI
ZZIKYQVNLSPNCZ-UHFFFAOYSA-N
InChIKey
1S/C44H54O6/c1-25(2)32-15-10-27(5)20-38(32)47-23-40(45)49-37-19-18-34-35-17-14-30-9-7-8-29-12-13-31(43(35)42(29)30)22-36(34)44(37)50-41(46)24-48-39-21-28(6)11-16-33(39)26(3)4/h7-9,12-14,17-19,22,25-28,32-33,37-39,44H,10-11,15-16,20-21,23-24H2,1-6H3
Class
Acetic Acid, ((5-Methyl-2-(1-Methylethyl)Cyclohexyl)Oxy)-, 7,8-Dihydro Benzo(A)Pyrene-7,8-Diyl Ester
Product Description
Product
Acetic Acid, ((5-Methyl-2-(1-Methylethyl)Cyclohexyl)Oxy)-, 7,8-Dihydro Benzo(A)Pyrene-7,8-Diyl Ester
CAS
97388-52-8
Formula
C44H54O6
Typical Product Specifications
SMILES
c12c(cc3ccc4cccc5ccc1c3c45)[C@@H]([C@@H](C=C2)OC(CO[C@@H]1[C@@H](CC[C@@H](C1)C)C(C)C)=O)OC(CO[C@@H]1[C@@H](CC[C@@H](C1)C)C(C)C)=O
InChI
ZZIKYQVNLSPNCZ-UHFFFAOYSA-N
InChIKey
1S/C44H54O6/c1-25(2)32-15-10-27(5)20-38(32)47-23-40(45)49-37-19-18-34-35-17-14-30-9-7-8-29-12-13-31(43(35)42(29)30)22-36(34)44(37)50-41(46)24-48-39-21-28(6)11-16-33(39)26(3)4/h7-9,12-14,17-19,22,25-28,32-33,37-39,44H,10-11,15-16,20-21,23-24H2,1-6H3
Class
