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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 16 results

Search term: C36H51NO10 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19959897

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20-,21-,24-,25+,26-,27-,28+,29+,30-,32-,33+,34+,35-,36+/m0/s1
C36H51NO10657.79085400
4344100

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3
C36H51NO10657.7908399999983200
4441540

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C36H51NO10/c1-3-5-7-10-13-17-28(38)18-14-11-8-9-12-15-19-30(36(46,35(44)45)26-32(39)40)33(41)37-31(34(42)43)25-27-20-22-29(23-21-27)47-24-16-6-4-2/h2,15,19-23,30-31,46H,3,5-14,16-18,24-26H2,1H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b19-15+/t30-,31+,36+/m1/s1
C36H51NO10657.7908399999982200
4441541

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C36H51NO10/c1-3-5-7-10-13-17-28(38)18-14-11-8-9-12-15-19-30(36(46,35(44)45)26-32(39)40)33(41)37-31(34(42)43)25-27-20-22-29(23-21-27)47-24-16-6-4-2/h15,19-23,30-31,46H,3,5,7-14,16-18,24-26H2,1-2H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b19-15+/t30-,31+,36+/m1/s1
C36H51NO10657.7908399999982200
4441543

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C36H51NO10/c1-3-5-7-10-13-17-28(38)18-14-11-8-9-12-15-19-30(36(46,35(44)45)26-32(39)40)33(41)37-31(34(42)43)25-27-20-22-29(23-21-27)47-24-16-6-4-2/h15,19-23,30-31,46H,3-5,7-14,17-18,24-26H2,1-2H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b19-15+/t30-,31+,36+/m1/s1
C36H51NO10657.7908399999982200
4925530

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20-,21-,24?,25?,26-,27-,28+,29+,30-,32-,33+,34-,35-,36+/m0/s1
C36H51NO10657.79082200
9867882

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C36H51NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h12,14-15,17-22,30-31,46H,4-11,13,16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b15-12+,17-14+/t30?,31?,36-/m0/s1
C36H51NO10657.79082100
32904

10 of 15 defined stereocentres - 10/15 defined
InChI=1/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20?,21?,24?,25?,26-,27-,28?,29+,30-,32-,33+,34-,35-,36-/m0/s1
C36H51NO10657.79082200
21247446

10 of 15 defined stereocentres - 10/15 defined
InChI=1/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20?,21?,24?,25?,26-,27-,28?,29+,30-,32-,33+,34+,35-,36-/m0/s1
C36H51NO10657.79081100
24958597

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20-,21-,24?,25?,26-,27-,28+,29+,30-,32-,33+,34+,35-,36+/m0/s1
C36H51NO10657.79081100
26587660

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H51NO10/c1-10-21-45-35(40)37-28-23-30(42-7)34(44-9)27(33(28)43-8)19-16-17-24(2)32-25(3)29(46-36(4,5)47-32)20-15-13-11-12-14-18-26(41-6)22-31(38)39/h10-15,17-18,23,25-26,29,32H,1,16,19-22H2,2-9H3,(H,37,40)(H,38,39)/b12-11+,15-13+,18-14+,24-17-/t25-,26-,29-,32-/m0/s1
C36H51NO10657.79081200
107442005

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C36H51NO10/c1-32(2,3)33(4,42)21-16-34-11-12-36(21,44-6)31-35(34)13-14-37(17-18-7-8-18)22(34)15-19-9-10-20(27(47-31)23(19)35)45-30-26(40)24(38)25(39)28(46-30)29(41)43-5/h9-10,18,21-22,24-26,28,30-31,38-40,42H,7-8,11-17H2,1-6H3/t21-,22-,24?,25+,26-,28+,30-,31-,33?,34-,35+,36-/m1/s1
C36H51NO10657.79081400
10211237

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C36H51NO10/c1-9-37-17-34(18-40-3)13-12-26(44-7)36-22-15-21-25(43-6)16-35(47-19(2)38,28(32(36)37)30(45-8)31(34)36)27(22)29(21)46-33(39)20-10-11-23(41-4)24(14-20)42-5/h10-11,14,21-22,25-32H,9,12-13,15-18H2,1-8H3/t21-,22-,25+,26+,27-,28+,29+,30+,31-,32?,34+,35-,36+/m1/s1
C36H51NO10657.79081100
17460644

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20-,21-,24-,25+,26-,27-,28+,29+,30-,32-,33+,34-,35-,36?/m0/s1
C36H51NO10657.79081100

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