Matches any text strings used to describe a molecule.
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 11 results

Search term: SRGITGUCGGVOQM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5192582

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)
C44H58N4O12834.95093200
7848662

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15+,29-20+,46-21+/t22-,24-,25-,26-,30+,35+,36+,40-,44+/m1/s1
C44H58N4O12834.95093300
7962940

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15+,29-20+,46-21+
C44H58N4O12834.95092200
88297686

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15+,29-20+,46-21+/t22?,24-,25-,26-,30+,35+,36-,40-,44+/m1/s1
C44H58N4O12834.95092100
115015202

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13-,19-16-,23-15-,29-20-,46-21+/t22-,24+,25+,26+,30-,35?,36+,40+,44-/m0/s1
C44H58N4O12834.95091100
115284611

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15+,29-20-,46-21+/t22-,24+,25+,26+,30-,35-,36+,40+,44-/m0/s1
C44H58N4O12834.95091100
123962250

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13-,19-16-,23-15-,29-20+,46-21+/t22-,24+,25+,26+,30-,35-,36+,40+,44?/m0/s1
C44H58N4O12834.95091100
127383627

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13-,19-16-,23-15-,29-20-,46-21+/t22-,24+,25+,26+,30-,35-,36+,40+,44-/m0/s1
C44H58N4O12834.95091100
17463625

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15-,29-20+,46-21+/t22-,24+,25+,26-,30-,35-,36-,40+,44?/m0/s1
C44H58N4O12834.95091100
57523032

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/h13-16,19-22,24-26,30,35-36,40,45,50-52,54H,10-12,17-18H2,1-9H3,(H,47,56)/b14-13+,19-16+,23-15-,29-20+,46-21+/t22-,24+,25+,26+,30-,35-,36+,40+,44-/m0/s1
C44H58N4O12834.95091100

Advertisement