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: C42H64O12 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10128280

Double-bond stereo

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C42H64O12/c1-10-22(2)37-26(6)32(43)20-41(54-37)19-30-17-29(53-41)15-14-24(4)36(52-34-18-33(47-8)35(44)27(7)50-34)23(3)12-11-13-28-21-49-39-38(48-9)25(5)16-31(40(45)51-30)42(28,39)46/h11-14,16,22-23,26-27,29-39,43-44,46H,10,15,17-21H2,1-9H3/b12-11+,24-14+,28-13+/t22?,23-,26-,27-,29+,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,41-,42+/m0/s1
C42H64O12760.95043300
8137798

Double-bond stereo

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C42H64O12/c1-9-29(45)32-14-15-33(52-32)42(7)18-24(5)30(54-42)12-10-21(2)39-22(3)11-13-31(53-39)27(19-43)17-26-16-23(4)36(46)28(20-44)34(26)40(50-8)38(48)35-37(47)25(6)51-41(35)49/h10,17,22-24,26,28-34,36,39-40,43-46,49H,6,9,11-16,18-20H2,1-5,7-8H3/b21-10+,27-17+
C42H64O12760.95042100
9269045

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H64O12/c1-21-23(3)42(19-24(43)20-46-42)54-41-38(44)22(2)39-37(53-40(21)41)18-36-29(52-39)11-6-10-28-34(51-36)17-35-31(48-28)14-13-30-25(49-35)8-4-5-9-27-33(50-30)16-32-26(47-27)12-7-15-45-32/h4-5,21-41,43-44H,6-20H2,1-3H3/b5-4-/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+/m0/s1
C42H64O12760.95042100
5289385

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C42H64O12/c1-9-29(45)32-14-15-33(52-32)42(7)18-24(5)30(54-42)12-10-21(2)39-22(3)11-13-31(53-39)27(19-43)17-26-16-23(4)36(46)28(20-44)34(26)40(50-8)38(48)35-37(47)25(6)51-41(35)49/h10,17,22-24,26,28-36,39-40,43-46H,6,9,11-16,18-20H2,1-5,7-8H3/b21-10+,27-17+/t22-,23+,24+,26+,28-,29+,30-,31+,32-,33+,34+,35?,36+,39+,40-,42-/m0/s1
C42H64O12760.9503599999981100
34896561

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C42H64O12/c1-22-33(53-24(3)44)34(54-25(4)45)32(47)35(51-22)50-21-39(7)28-13-14-41(9)29(42(28,10)30(46)19-31(39)52-23(2)43)12-11-26-27-20-38(6,36(48)49)16-15-37(27,5)17-18-40(26,41)8/h11,22,27-35,46-47H,12-21H2,1-10H3,(H,48,49)/t22-,27+,28-,29-,30-,31-,32+,33-,34-,35+,37+,38+,39-,40+,41+,42-/m0/s1
C42H64O12760.95041100
57487420

Double-bond stereo

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C42H64O12/c1-8-31(45)35-13-14-36(52-35)42(7)17-25(5)33(54-42)11-9-22(2)40-23(3)10-12-34(53-40)28(18-43)16-27-15-24(4)38(47)29(19-44)30(27)20-50-21-32(46)37-39(48)26(6)51-41(37)49/h9,16,23-25,27,29-31,33-38,40,43-45,47H,6,8,10-15,17-21H2,1-5,7H3/b22-9+,28-16-
C42H64O12760.95041100
65322984

Double-bond stereo

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C42H64O12/c1-10-22(2)37-26(6)32(43)20-41(54-37)19-30-17-29(53-41)15-14-24(4)36(52-34-18-33(47-8)35(44)27(7)50-34)23(3)12-11-13-28-21-49-39-38(48-9)25(5)16-31(40(45)51-30)42(28,39)46/h11-14,16,22-23,26-27,29-39,43-44,46H,10,15,17-21H2,1-9H3/b12-11+,24-14-,28-13+/t22?,23-,26-,27-,29+,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,41-,42+/m0/s1
C42H64O12760.95041100
71044139

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C42H64O12/c1-21-30(45)24(44)17-29(51-21)52-28-19-37(2,3)18-23-22-9-10-26-39(5)13-12-27(53-36-33(48)31(46)32(47)34(54-36)35(49)50)40(6,20-43)25(39)11-14-42(26,8)41(22,7)16-15-38(23,28)4/h9,23,25-29,31-34,36,43,45-48H,10-20H2,1-8H3,(H,49,50)/t23-,25?,26?,27-,28+,29+,31-,32-,33+,34-,36+,38+,39-,40+,41+,42+/m0/s1
C42H64O12760.95041300
78315933

Double-bond stereo

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C42H64O12/c1-10-22(2)37-26(6)32(43)20-41(54-37)19-30-17-29(53-41)15-14-24(4)36(52-34-18-33(47-8)35(44)27(7)50-34)23(3)12-11-13-28-21-49-39-38(48-9)25(5)16-31(40(45)51-30)42(28,39)46/h11-14,16,22-23,26-27,29-39,43-44,46H,10,15,17-21H2,1-9H3/b12-11+,24-14+,28-13+/t22-,23-,26-,27-,29+,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,41-,42+/m0/s1
C42H64O12760.95041100

Advertisement