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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 7 results

Search term: JEGGQYICWGMXOZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21340553

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C44H58N4O12/c1-22-14-13-15-23(2)43(56)47-34-29(20-45-46-21-48-17-11-10-12-18-48)38(53)31-32(39(34)54)37(52)27(6)41-33(31)42(55)44(8,60-41)58-19-16-30(57-9)24(3)40(59-28(7)49)26(5)36(51)25(4)35(22)50/h13-16,19-22,24-26,30,35-36,40,50-54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15-,45-20+,46-21+/t22-,24+,25+,26-,30-,35-,36-,40+,44?/m0/s1
C44H58N4O12834.95098400
21820139

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C44H58N4O12/c1-22-14-13-15-23(2)43(56)47-34-29(20-45-46-21-48-17-11-10-12-18-48)38(53)31-32(39(34)54)37(52)27(6)41-33(31)42(55)44(8,60-41)58-19-16-30(57-9)24(3)40(59-28(7)49)26(5)36(51)25(4)35(22)50/h13-16,19-22,24-26,30,35-36,40,50-54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15-,45-20+,46-21+
C44H58N4O12834.95096200
44241736

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C44H58N4O12/c1-22-14-13-15-23(2)43(56)47-34-29(20-45-46-21-48-17-11-10-12-18-48)38(53)31-32(39(34)54)37(52)27(6)41-33(31)42(55)44(8,60-41)58-19-16-30(57-9)24(3)40(59-28(7)49)26(5)36(51)25(4)35(22)50/h13-16,19-22,24-26,30,35-36,40,50-54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13-,19-16-,23-15-,45-20+,46-21+
C44H58N4O12834.95092200
64866636

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C44H58N4O12/c1-22-14-13-15-23(2)43(56)47-34-29(20-45-46-21-48-17-11-10-12-18-48)38(53)31-32(39(34)54)37(52)27(6)41-33(31)42(55)44(8,60-41)58-19-16-30(57-9)24(3)40(59-28(7)49)26(5)36(51)25(4)35(22)50/h13-16,19-22,24-26,30,35-36,40,50-54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13-,19-16-,23-15-,45-20+,46-21+/t22-,24+,25+,26-,30-,35-,36-,40+,44?/m0/s1
C44H58N4O12834.95092200
21256756

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C44H58N4O12/c1-22-14-13-15-23(2)43(56)47-34-29(20-45-46-21-48-17-11-10-12-18-48)38(53)31-32(39(34)54)37(52)27(6)41-33(31)42(55)44(8,60-41)58-19-16-30(57-9)24(3)40(59-28(7)49)26(5)36(51)25(4)35(22)50/h13-16,19-22,24-26,30,35-36,40,50-54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15-,45-20+,46-21+/t22-,24+,25+,26+,30-,35-,36+,40+,44-/m0/s1
C44H58N4O12834.95092100
25021444

Charge

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C44H58N4O12/c1-22-14-13-15-23(2)43(56)47-34-29(20-45-46-21-48-17-11-10-12-18-48)38(53)31-32(39(34)54)37(52)27(6)41-33(31)42(55)44(8,60-41)58-19-16-30(57-9)24(3)40(59-28(7)49)26(5)36(51)25(4)35(22)50/h13-16,19-22,24-26,30,35-36,40,50-54H,10-12,17-18H2,1-9H3,(H,47,56)/p-2/b14-13-,19-16-,23-15-,45-20-,46-21-
C44H56N4O12832.9350400000011100
21432289

Charge

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C44H58N4O12/c1-22-14-13-15-23(2)43(56)47-34-29(20-45-46-21-48-17-11-10-12-18-48)38(53)31-32(39(34)54)37(52)27(6)41-33(31)42(55)44(8,60-41)58-19-16-30(57-9)24(3)40(59-28(7)49)26(5)36(51)25(4)35(22)50/h13-16,19-22,24-26,30,35-36,40,50-54H,10-12,17-18H2,1-9H3,(H,47,56)/p-2/b14-13+,19-16+,23-15-,45-20-,46-21-
C44H56N4O12832.9350400000011100

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