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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
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Found 86 results

Search term: C37H67NO13 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12041


18 of 18 defined stereocentres - 18/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
C37H67NO13733.926813727715942570
9247786

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
C37H67NO13733.9268141200
7939

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19+,20+,21+,22-,23+,24-,25-,26+,28+,29+,30-,31+,32-,34-,35-,36-,37-/m1/s1
C37H67NO13733.9268121300
5145910

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34-,35-,36-,37-/m1/s1
C37H67NO13733.926810700
5022871

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26?,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
C37H67NO13733.92687400
30782627

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19+,20+,21+,22+,23+,24-,25-,26-,28+,29+,30+,31+,32+,34+,35-,36+,37-/m1/s1
C37H67NO13733.92687500
26943859

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)29(41)22(5)27(39)19(2)16-34(7,44)33(50-32-28(40)24(38(11)12)15-21(4)47-32)36(9,17-20(3)31(43)49-25)51-26-18-35(8,46-13)30(42)23(6)48-26/h19-26,28-30,32-33,40-42,44-45H,14-18H2,1-13H3/t19-,20?,21-,22+,23+,24+,25-,26+,28-,29-,30+,32+,33+,34-,35-,36+,37-/m1/s1
C37H67NO13733.92686200
35031829

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19+,20+,21?,22-,23-,24-,25-,26-,28+,29-,30-,31-,32+,34-,35+,36+,37-/m1/s1
C37H67NO13733.92685500
22875092

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23-,24+,25-,26?,28-,29+,30-,31-,32-,34?,35-,36+,37-/m1/s1
C37H67NO13733.92684100
17340748

13 of 18 defined stereocentres - 13/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21?,22-,23+,24+,25-,26+,28-,29?,30?,31+,32?,34?,35-,36-,37-/m1/s1
C37H67NO13733.92684700
21170574

15 of 18 defined stereocentres - 15/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19+,20?,21?,22-,23-,24-,25?,26-,28+,29+,30+,31-,32-,34-,35-,36+,37-/m0/s1
C37H67NO13733.92684100
402019

10 of 18 defined stereocentres - 10/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19?,20+,21+,22-,23?,24?,25-,26?,28?,29+,30-,31?,32-,34?,35-,36?,37-/m1/s1
C37H67NO13733.92684200
500343

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C37H67NO13/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(51-35-30(41)25(38(11,12)45)15-19(3)47-35)22(6)31(23(7)34(43)49-26)50-27-17-37(10,46-13)32(42)24(8)48-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3
C37H67NO13733.92683300
75756

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C37H67NO13/c1-14-25-19(3)27(39)20(4)30(41)35(8,44)17-36(9,45)32(51-34-28(40)24(38(11)12)15-18(2)47-34)21(5)29(22(6)33(43)49-25)50-26-16-37(10,46-13)31(42)23(7)48-26/h18-29,31-32,34,39-40,42,44-45H,14-17H2,1-13H3
C37H67NO13733.92683300
5036948

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23-,24+,25-,26+,28+,29+,30-,31-,32-,34-,35-,36+,37-/m0/s1
C37H67NO13733.92683300
8208452

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36+,37-/m1/s1
C37H67NO13733.92683200
21474968

14 of 18 defined stereocentres - 14/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19?,20+,21+,22-,23-,24?,25-,26+,28?,29+,30-,31+,32-,34+,35-,36?,37-/m1/s1
C37H67NO13733.92683100
22901214

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21?,22-,23-,24+,25-,26-,28-,29+,30-,31-,32-,34+,35-,36+,37-/m0/s1
C37H67NO13733.92683300
52324350

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C37H67NO13/c1-14-25(39)36(10,43)31-22(6)37(44)18(2)16-35(9,51-37)30(50-33-27(40)24(38(11)12)15-19(3)46-33)20(4)28(21(5)32(42)49-31)48-26-17-34(8,45-13)29(41)23(7)47-26/h18-31,33,39-41,43-44H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,33+,34-,35-,36-,37+/m1/s1
C37H67NO13733.92683300
62954742

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,28-,29+,30+,31+,32-,34+,35-,36-,37-/m1/s1
C37H67NO13733.92683200
12345

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