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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 18 results

Search term: C48H93NO8 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4977045

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45+,46-,47+,48+/m0/s1
C48H93NO8812.2539151600
4955274

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1
C48H93NO8812.2539131400
4881992

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45+,46?,47?,48+/m0/s1
C48H93NO8812.25399900
4881998

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41-43,45-48,50-51,53-55H,3-16,19-40H2,1-2H3,(H,49,52)/b18-17-/t41-,42+,43+,45+,46?,47?,48+/m0/s1
C48H93NO8812.25393300
4477430

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41?,42?,43-,45-,46+,47-,48-/m1/s1
C48H93NO8812.25393200
24765741

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45?,46-,47+,48+/m0/s1
C48H93NO8812.25393300
58145799

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41-43,45-48,50-51,53-55H,3-16,19-40H2,1-2H3,(H,49,52)/b18-17-/t41-,42+,43+,45-,46-,47+,48+/m0/s1
C48H93NO8812.25393400
58163570

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C48H93NO8/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(52)49-41(39-56-48-47(55)46(54)45(53)43(38-50)57-48)42(51)36-33-30-27-25-24-26-29-32-35-40(3)5-2/h33,36,40-43,45-48,50-51,53-55H,4-32,34-35,37-39H2,1-3H3,(H,49,52)/b36-33+/t40?,41-,42+,43+,45+,46-,47+,48+/m0/s1
C48H93NO8812.25393400
28533466

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C48H93NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-44(52)49-41(39-56-48-47(55)46(54)45(53)43(38-50)57-48)42(51)36-33-30-27-24-22-23-26-29-32-35-40(2)3/h33,36,40-43,45-48,50-51,53-55H,4-32,34-35,37-39H2,1-3H3,(H,49,52)/b36-33+/t41-,42+,43+,45+,46-,47+,48+/m0/s1
C48H93NO8812.25393400
34448885

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48?/m0/s1
C48H93NO8812.25393400
34449063

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41-43,45-48,50-51,53-55H,3-16,19-40H2,1-2H3,(H,49,52)/b18-17-/t41-,42+,43+,45+,46-,47+,48+/m0/s1
C48H93NO8812.25392200
58196615

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h33,35,41-43,45-48,50-51,53-55H,3-32,34,36-40H2,1-2H3,(H,49,52)/b35-33+/t41-,42+,43+,45+,46-,47+,48+/m0/s1
C48H93NO8812.25392200
98645501

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46?,47?,48+/m0/s1
C48H93NO8812.25392200
107446971

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47?,48+/m0/s1
C48H93NO8812.25392200
7986843

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41?,42?,43-,45+,46+,47-,48-/m1/s1
C48H93NO8812.25392100
24846902

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43?,45-,46-,47?,48+/m0/s1
C48H93NO8812.25391100

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