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 26 results

Search term: JBGYSAVRIDZNKA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10264342

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1
C42H72O14801.0127262240
29272134

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,39+,40+,41+,42-/m0/s1
C42H72O14801.0127151700
10272890

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1
C42H72O14801.01273300
3066912

0 of 22 defined stereocentres - 0/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3
C42H72O14801.01273200
4572579

10 of 22 defined stereocentres - 10/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19?,20-,21+,22-,23?,24?,25-,26+,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,39+,40+,41+,42-/m0/s1
C42H72O14801.01272200
8548599

16 of 22 defined stereocentres - 16/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20?,21?,22-,23+,24?,25-,26?,27?,28-,29+,30+,31-,32+,33+,34?,35-,36+,39+,40+,41+,42-/m0/s1
C42H72O14801.01272100
60958561

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21-,22+,23+,24?,25+,26+,27+,28-,29+,30+,31-,32+,33+,34?,35-,36+,39+,40-,41+,42-/m0/s1
C42H72O14801.01272200
82966038

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,39+,40+,41+,42-/m1/s1
C42H72O14801.01272100
107446201

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26?,27-,28-,29+,30+,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1
C42H72O14801.01272300
111318735

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27?,28-,29+,30+,31-,32+,33-,34-,35-,36?,39+,40+,41+,42-/m0/s1
C42H72O14801.01271100
113612201

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,39+,40+,41+,42-/m0/s1
C42H72O14801.01271100
114101437

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26?,27-,28-,29+,30+,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m1/s1
C42H72O14801.01271100
114391890

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25+,26+,27+,28-,29+,30-,31+,32+,33+,34-,35-,36+,39-,40+,41+,42+/m0/s1
C42H72O14801.01271100
114816182

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-,36-,39+,40-,41+,42-/m0/s1
C42H72O14801.01271100
128434082

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20?,21+,22-,23+,24+,25+,26+,27+,28-,29+,30-,31+,32+,33+,34-,35-,36+,39-,40+,41+,42+/m0/s1
C42H72O14801.01271100
128746089

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35?,36?,39+,40+,41+,42-/m0/s1
C42H72O14801.01271100
78430303

19 of 22 defined stereocentres - 19/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21-,22+,23+,24?,25?,26+,27+,28-,29+,30+,31-,32+,33+,34?,35-,36+,39+,40-,41+,42-/m0/s1
C42H72O14801.01271100
78430841

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,39+,40+,41-,42-/m0/s1
C42H72O14801.01271100
78431772

10 of 22 defined stereocentres - 10/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19?,20-,21?,22?,23?,24+,25?,26?,27-,28?,29?,30?,31?,32?,33?,34+,35-,36+,39-,40-,41-,42+/m1/s1
C42H72O14801.01271100
82827231

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27?,28-,29+,30+,31-,32+,33-,34-,35-,36?,39+,40+,41+,42-/m1/s1
C42H72O14801.01271100
12

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