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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
Additional Filters

Found 9 results

Search term: BVGDPXVMSLWVOD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2340146

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3
C54H74N2O11927.1721599999984300
10472151

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27-,28-,29-,30+,31+,33-,34-,40+,42+,43+,44-,46-,47-,48-,49+,50+,51+,52+,53+,54-/m0/s1
C54H74N2O11927.17224400
5143376

14 of 21 defined stereocentres - 14/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26?,27?,28?,29?,30-,31-,33+,34?,40-,42?,43-,44+,46+,47+,48+,49-,50-,51?,52-,53-,54+/m0/s1
C54H74N2O11927.17223200
10142980

13 of 21 defined stereocentres - 13/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26?,27?,28?,29?,30-,31-,33+,34?,40-,42?,43?,44+,46+,47+,48+,49-,50-,51?,52-,53-,54+/m0/s1
C54H74N2O11927.17222200
4509015

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27-,28-,29-,30+,31+,33-,34-,40+,42+,43+,44-,46-,47-,48-,49+,50+,51+,52+,53-,54-/m0/s1
C54H74N2O11927.17222200
23314656

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27+,28+,29+,30-,31-,33-,34+,40-,42-,43-,44+,46+,47+,48+,49-,50-,51-,52-,53+,54+/m1/s1
C54H74N2O11927.17222200
30810364

18 of 21 defined stereocentres - 18/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27+,28?,29?,30+,31+,33-,34?,40+,42+,43+,44-,46-,47-,48-,49+,50+,51-,52+,53+,54-/m1/s1
C54H74N2O11927.1721600000011100
58816480

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27-,28-,29-,30+,31+,33-,34-,40+,42+,43+,44-,46-,47-,48-,49+,50+,51?,52?,53-,54-/m0/s1
C54H74N2O11927.17221100
58841528

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27+,28+,29+,30+,31+,33-,34+,40+,42-,43+,44-,46+,47-,48-,49+,50+,51-,52+,53+,54-/m1/s1
C54H74N2O11927.17221100

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