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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 7 results

Search term: C45H70O17 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24680198

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C45H70O17/c1-19(17-46)7-10-28(48)20(2)31-29(49)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)59-43-40(62-42-38(56)36(54)33(51)22(4)58-42)39(34(52)30(18-47)60-43)61-41-37(55)35(53)32(50)21(3)57-41/h15,19,21-22,24-27,30,32-43,46-47,50-56H,7-14,16-18H2,1-6H3/b31-20+/t19-,21+,22+,24+,25-,26+,27+,30-,32+,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,43-,44+,45+/m1/s1
C45H70O17883.02712200
28505182

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H70O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h15,18-24,26-28,30-42,46,48-54H,7-14,16-17H2,1-6H3/t18-,19+,20+,21+,22+,23+,24-,26+,27+,28-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1
C45H70O17883.02712200
35517082

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H70O17/c1-17(2)18(3)35-36(59-35)19(4)22-7-8-23-21-14-27-25-13-20(9-11-45(25,6)24(21)10-12-44(22,23)5)57-43-39(33(51)32(50)37(60-43)40(53)54)62-42-38(29(47)26(46)15-56-42)61-41-34(52)31(49)30(48)28(58-41)16-55-27/h14,17-20,22-39,41-43,46-52H,7-13,15-16H2,1-6H3,(H,53,54)/t18-,19-,20-,22+,23-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34+,35-,36-,37-,38+,39+,41-,42-,43+,44+,45+/m0/s1
C45H70O17883.02712200
113385310

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C45H70O17/c1-19(18-56-41-38(54)36(52)33(49)29(16-46)60-41)6-9-27-20(2)31-28(59-27)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)58-43-40(37(53)34(50)30(17-47)61-43)62-42-39(55)35(51)32(48)21(3)57-42/h7,19,21,23-26,29-30,32-43,46-55H,6,8-18H2,1-5H3/t19-,21+,23+,24-,25+,26+,29-,30-,32+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+/m1/s1
C45H70O17883.02711100
28637900

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H70O17/c1-18-7-12-45(55-17-18)19(2)30-27(62-45)15-25-29-24(9-11-44(25,30)6)43(5)10-8-23(13-22(43)14-26(29)47)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h14,18-21,23-25,27-42,46,48-54H,7-13,15-17H2,1-6H3/t18-,19+,20+,21+,23+,24+,25+,27+,28-,29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
C45H70O17883.02711100
13091090

21 of 25 defined stereocentres - 21/25 defined
InChI=1/C45H70O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,20-21,23-42,46-54H,1,7-18H2,2-5H3/t20-,21-,23-,24?,25?,26?,27?,28+,29+,30-,31-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45+/m0/s1
C45H70O17883.02711100
13164229

17 of 25 defined stereocentres - 17/25 defined
InChI=1/C45H70O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,20-21,23-42,46-54H,1,7-18H2,2-5H3/t20?,21-,23-,24?,25?,26?,27?,28+,29+,30?,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44?,45?/m0/s1
C45H70O17883.02711100

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