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 9 results

Search term: SFIMJDKEAAKAPV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34990587

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,19-14+/t16-,18+,21-,22-,28-,30-,31+,32-,33-/m1/s1
C40H51NO13753.83183400
64854435

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11+,17-13+,19-14+/t16-,18+,21-,22-,28-,30-,31+,32-,33-/m1/s1
C40H51NO13753.83181200
103883017

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,19-14+/t16-,18-,21-,22-,28-,30+,31-,32-,33-/m1/s1
C40H51NO13753.83181100
16736184

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11+,17-13-,19-14-/t16-,18+,21-,22-,28-,30-,31+,32-,33-/m1/s1
C40H51NO13753.83181105
21270079

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,19-14+/t16-,18+,21-,22-,28-,30?,31+,32-,33-/m1/s1
C40H51NO13753.83181100
28505054

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11-,17-13-,19-14-
C40H51NO13753.83181100
32699806

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11-,17-13-,19-14-/t16-,18+,21-,22-,28-,30-,31+,32-,33-/m1/s1
C40H51NO13753.83181200
32747333

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,19-14+
C40H51NO13753.83181200
34526471

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C40H51NO13/c1-16-12-11-13-17(2)39(49)41-29-20(5)38(54-24(9)42)25-26(35(29)48)34(47)23(8)37-27(25)36(52-15-53-37)19(4)14-18(3)31(44)22(7)33(46)28(40(50)51-10)32(45)21(6)30(16)43/h11-14,16,18,21-22,28,30-33,43-46,48H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,19-14-/t16-,18+,21-,22-,28-,30?,31+,32-,33-/m1/s1
C40H51NO13753.83181100

Advertisement