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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 8 results

Search term: OUAGRMNQRIXQQD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
393498

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,49-52,54-55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1
C44H62N2O12810.96933200
4513381

Double-bond stereo

4 of 11 defined stereocentres - 4/11 defined
InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,49-52,54-55H,11,24H2,1-9H3,(H,45,53)/b12-10u,15-13u,18-17u,21-16-,22-14u,26-19u,27-20u/t28?,29-,31?,32?,35+,36+,37+,38?,39?,40?,44?/m1/s1
C44H62N2O12810.96932200
5143341

Double-bond stereo

4 of 11 defined stereocentres - 4/11 defined
InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,49-52,54-55H,11,24H2,1-9H3,(H,45,53)/t28?,29-,31?,32?,35+,36+,37-,38?,39?,40?,44?/m1/s1
C44H62N2O12810.96932100
8685023

Double-bond stereo

5 of 11 defined stereocentres - 5/11 defined

Non-standard isotope
InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,49-52,54-55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28?,29-,31?,32-,35?,36?,37?,38?,39-,40+,44+/m0/s1/i29D
C44H61DN2O12811.97542100
8804599

Double-bond stereo

5 of 11 defined stereocentres - 5/11 defined

Non-standard isotope
InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,49-52,54-55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28?,29-,31?,32+,35?,36?,37?,38?,39+,40-,44-/m1/s1/i29D
C44H61DN2O12811.97542100
2173

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,49-52,54-55H,11,24H2,1-9H3,(H,45,53)
C44H62N2O12810.96932100
4572395

Double-bond stereo

4 of 11 defined stereocentres - 4/11 defined
InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,49-52,54-55H,11,24H2,1-9H3,(H,45,53)/b12-10+,15-13+,18-17+,21-16+,22-14+,26-19-,27-20+/t28?,29-,31?,32?,35+,36+,37+,38?,39?,40?,44?/m1/s1
C44H62N2O12810.96931100

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