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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 34 results

Search term: GAOZTHIDHYLHMS (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
389937

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1
C36H62O11670.8709421313913259
4094

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)
C36H62O11670.870913272900
22871392

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35?,36-/m0/s1
C36H62O11670.870912800
26293

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-/m0/s1
C36H62O11670.8709101100
397889

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24?,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1
C36H62O11670.87098700
5036808

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-/m1/s1
C36H62O11670.87093300
5142862

11 of 17 defined stereocentres - 11/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20+,21+,22-,23+,24?,25+,26?,27?,28?,29-,30?,31?,33+,34-,35-,36-/m0/s1
C36H62O11670.87093300
4093

Charge

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/p-1
C36H61O11669.86353200
24721637

11 of 17 defined stereocentres - 11/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24?,25-,26?,27?,28?,29+,30?,31?,33-,34-,35+,36-/m1/s1
C36H62O11670.87092200
57575644

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1
C36H62O11670.87092100
59700737

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29-,30-,31-,33+,34+,35+,36+/m0/s1
C36H62O11670.87092100
66737994

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31?,33+,34+,35-,36+/m1/s1
C36H62O11670.870922000
8071770

11 of 17 defined stereocentres - 11/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24?,25-,26?,27?,28?,29-,30-,31+,33?,34-,35?,36-/m0/s1
C36H62O11670.87092100
8684342

14 of 17 defined stereocentres - 14/17 defined

Non-standard isotope
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24+,25-,26?,27+,28?,29+,30?,31+,33-,34-,35+,36-/m0/s1/i1+1D3,2+1D3,3+1D3,4+1D3,5+1D3,6+1D3,7+1D3,8+1D3
C2813C8H38D24O11702.962200
8827491

14 of 17 defined stereocentres - 14/17 defined

Non-standard isotope
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26?,27+,28?,29+,30?,31+,33-,34-,35+,36-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1
C2813C8H62O11678.81212200
8851438

14 of 17 defined stereocentres - 14/17 defined

Non-standard isotope
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26?,27+,28?,29+,30?,31+,33-,34-,35+,36-/m0/s1/i1+1D,2+1D,3+1D,4+1D,5+1D,6+1D,7+1D,8+1D
C2813C8H54D8O11686.86142200
8851507

14 of 17 defined stereocentres - 14/17 defined

Non-standard isotope
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26?,27+,28?,29+,30?,31+,33-,34-,35+,36-/m0/s1/i1+1D2,2+1D2,3+1D2,4+1D2,5+1D2,6+1D2,7+1D2,8+1D2
C2813C8H46D16O11694.91072200
9977276

14 of 17 defined stereocentres - 14/17 defined

Non-standard isotope
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26?,27+,28?,29+,30?,31+,33-,34-,35+,36-/m0/s1/i12+1
C3513CH62O11671.86352200
17460053

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24+,25-,26+,27+,28-,29-,30-,31+,33?,34-,35?,36-/m0/s1
C36H62O11670.87092100
17467006

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23+,24-,25-,26+,27?,28-,29+,30-,31+,33-,34-,35?,36-/m0/s1
C36H62O11670.87092100
12

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