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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 6 results

Search term: C52H71N7O12 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21395875

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
C52H71N7O12986.1598111100
4946344

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+
C52H71N7O12986.15984300
23266628

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C52H71N7O12/c1-12-39-52(8)43(57-49(64)71-52)32(4)40(60)30(2)27-51(7,70-48(63)56-23-14-16-35-18-20-37(21-19-35)45-54-24-15-25-55-45)44(69-47-41(61)38(58(9)10)26-31(3)66-47)33(5)42(34(6)46(62)67-39)68-50(65)59(11)29-36-17-13-22-53-28-36/h13-22,24-25,28,30-34,38-39,41-44,47,61H,12,23,26-27,29H2,1-11H3,(H,56,63)(H,57,64)/b16-14+/t30-,31-,32+,33+,34-,38+,39-,41-,42+,43-,44-,47+,51-,52-/m1/s1
C52H71N7O12986.15983200
58163623

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32?,33-,34+,38?,39+,40-,41-,42-,44+/m0/s1
C52H71N7O12986.15981100
95637190

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,24,26,29,31,33,38,42,54-55,57-58,60-61,63,65-70H,8,23,25,27-28H2,1-7,9-10H3,(H,53,64)(H,56,62)/b22-21u,30-26+,43-24+,45-32+,47-34+,49-41+,50-40+
C52H71N7O12986.15981100
13112841

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40+,41+,42-,44+/m0/s1
C52H71N7O12986.15981100

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