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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 20 results

Search term: C53H93N7O13 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
391754

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1
C53H93N7O131036.3446222100
8305283

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36?,37-,38-,39+,40+,41-,42-,46-/m0/s1
C53H93N7O131036.344611900
17347272

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C53H93N7O13/c1-30(2)21-19-17-15-13-14-16-18-20-22-42-51(70)54-36(23-24-43(61)62)46(65)55-37(25-31(3)4)47(66)57-39(27-33(7)8)50(69)60-45(35(11)12)52(71)58-40(29-44(63)64)49(68)56-38(26-32(5)6)48(67)59-41(28-34(9)10)53(72)73-42/h30-42,45H,13-29H2,1-12H3,(H,54,70)(H,55,65)(H,56,68)(H,57,66)(H,58,71)(H,59,67)(H,60,69)(H,61,62)(H,63,64)/t36-,37-,38+,39+,40-,41-,42+,45-/m0/s1
C53H93N7O131036.344699500
71354318

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C53H93N7O13/c1-30(2)22-20-18-16-14-13-15-17-19-21-23-42(62)60-46(41(61)29-44(65)66)52(72)57-37(25-32(5)6)47(67)55-38(26-33(7)8)50(70)59-45(35(11)12)51(71)56-39(28-43(63)64)49(69)54-36(24-31(3)4)48(68)58-40(53(60)73)27-34(9)10/h30-41,45-46,61H,13-29H2,1-12H3,(H,54,69)(H,55,67)(H,56,71)(H,57,72)(H,58,68)(H,59,70)(H,63,64)(H,65,66)/t36-,37+,38-,39+,40+,41?,45+,46+/m1/s1
C53H93N7O131036.34466500
58794

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36?,37-,38+,39?,40-,41+,42?,46+/m1/s1
C53H93N7O131036.34464200
35517103

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C53H93N7O13/c1-13-34(10)27-35(11)20-18-16-14-15-17-19-21-37-28-43(61)55-38(22-23-44(62)63)48(67)60-46(33(8)9)52(71)58-39(24-30(2)3)49(68)54-36(12)47(66)56-41(29-45(64)65)51(70)57-40(25-31(4)5)50(69)59-42(26-32(6)7)53(72)73-37/h30-42,46H,13-29H2,1-12H3,(H,54,68)(H,55,61)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,62,63)(H,64,65)/t34?,35?,36-,37+,38-,39-,40-,41-,42-,46-/m0/s1
C53H93N7O131036.34464400
26393849

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C53H93N7O13/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-37-30-44(61)55-38(24-25-45(62)63)48(67)57-40(27-33(4)5)50(69)58-39(26-32(2)3)49(68)54-36(10)47(66)56-42(31-46(64)65)52(71)59-41(28-34(6)7)51(70)60-43(29-35(8)9)53(72)73-37/h32-43H,11-31H2,1-10H3,(H,54,68)(H,55,61)(H,56,66)(H,57,67)(H,58,69)(H,59,71)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38-,39-,40-,41-,42-,43-/m0/s1
C53H93N7O131036.34463300
27023611

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C53H93N7O13/c1-14-35(12)21-19-17-15-16-18-20-22-36-28-42(61)54-37(23-24-44(64)72-13)47(65)55-38(25-30(2)3)48(66)56-39(26-31(4)5)50(68)59-45(33(8)9)52(70)58-41(29-43(62)63)49(67)57-40(27-32(6)7)51(69)60-46(34(10)11)53(71)73-36/h30-41,45-46H,14-29H2,1-13H3,(H,54,61)(H,55,65)(H,56,66)(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,62,63)/t35?,36-,37+,38+,39-,40-,41+,45+,46+/m1/s1
C53H93N7O131036.34463300
8329363

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C53H93N7O13/c1-13-35(12)46-53(72)73-36(22-20-18-16-14-15-17-19-21-30(2)3)28-42(61)54-37(23-24-43(62)63)47(66)55-38(25-31(4)5)48(67)56-39(26-32(6)7)50(69)59-45(34(10)11)52(71)58-41(29-44(64)65)49(68)57-40(27-33(8)9)51(70)60-46/h30-41,45-46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,62,63)(H,64,65)/t35-,36?,37-,38-,39+,40+,41-,45-,46-/m0/s1
C53H93N7O131036.34463200
8594011

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-45(64)73-44(63)23-22-37(54)47(65)55-38(24-31(3)4)48(66)57-40(26-33(7)8)51(69)60-46(35(11)12)52(70)58-41(29-43(61)62)50(68)56-39(25-32(5)6)49(67)59-42(27-34(9)10)53(71)72-36/h30-42,46H,13-29,54H2,1-12H3,(H,55,65)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,61,62)/t36?,37-,38-,39+,40+,41-,42-,46-/m0/s1
C53H93N7O131036.34462100
10133651

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36?,37-,38+,39-,40-,41+,42+,46+/m1/s1
C53H93N7O131036.34462100
4242996

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)
C53H93N7O131036.344622100
4321437

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C53H93N7O13/c1-30(2)21-19-17-15-13-14-16-18-20-22-42-51(70)54-36(23-24-43(61)62)46(65)55-37(25-31(3)4)47(66)57-39(27-33(7)8)50(69)60-45(35(11)12)52(71)58-40(29-44(63)64)49(68)56-38(26-32(5)6)48(67)59-41(28-34(9)10)53(72)73-42/h30-42,45H,13-29H2,1-12H3,(H,54,70)(H,55,65)(H,56,68)(H,57,66)(H,58,71)(H,59,67)(H,60,69)(H,61,62)(H,63,64)
C53H93N7O131036.344622100
8209605

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C53H93N7O13/c1-13-34(11)21-19-17-15-16-18-20-22-36-28-42(61)54-37(23-24-43(62)63)47(66)55-38(25-30(3)4)48(67)56-39(26-31(5)6)50(69)59-45(33(9)10)52(71)58-41(29-44(64)65)49(68)57-40(27-32(7)8)51(70)60-46(35(12)14-2)53(72)73-36/h30-41,45-46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,62,63)(H,64,65)/t34?,35?,36?,37-,38-,39+,40+,41-,45-,46-/m0/s1
C53H93N7O131036.34462100
27026624

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C53H93N7O13/c1-13-14-15-16-17-18-19-20-21-22-36-29-43(61)54-37(23-24-45(64)72-12)47(65)55-38(25-31(2)3)48(66)57-40(27-33(6)7)51(69)60-46(35(10)11)52(70)58-41(30-44(62)63)50(68)56-39(26-32(4)5)49(67)59-42(28-34(8)9)53(71)73-36/h31-42,46H,13-30H2,1-12H3,(H,54,61)(H,55,65)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,62,63)/t36-,37+,38?,39?,40?,41+,42?,46+/m1/s1
C53H93N7O131036.34462200
29213111

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)56-39(25-32(5)6)49(68)57-40(26-33(7)8)50(69)59-42(29-45(64)65)51(70)58-41(27-34(9)10)52(71)60-46(35(11)12)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,70)(H,59,69)(H,60,71)(H,62,63)(H,64,65)/t36?,37-,38-,39-,40-,41-,42-,46-/m0/s1
C53H93N7O131036.34462200
97091900

7 of 11 defined stereocentres - 7/11 defined
InChI=1/C53H93N7O13/c1-13-33(10)22-20-18-16-17-19-21-23-36-28-41(61)54-37(24-25-42(62)63)47(66)59-45(34(11)14-2)52(71)56-39(27-31(6)7)49(68)58-44(32(8)9)51(70)57-40(29-43(64)65)48(67)55-38(26-30(4)5)50(69)60-46(35(12)15-3)53(72)73-36/h30-40,44-46H,13-29H2,1-12H3,(H,54,61)(H,55,67)(H,56,71)(H,57,70)(H,58,68)(H,59,66)(H,60,69)(H,62,63)(H,64,65)/t33?,34?,35?,36?,37-,38+,39+,40-,44-,45-,46-/m1/s1
C53H93N7O131036.34462200
78438285

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C53H93N7O13/c1-12-13-14-15-16-17-18-19-20-21-22-23-36-29-42(61)54-37(24-25-43(62)63)47(66)59-45(34(8)9)51(70)56-39(27-32(4)5)50(69)60-46(35(10)11)52(71)57-40(30-44(64)65)49(68)55-38(26-31(2)3)48(67)58-41(28-33(6)7)53(72)73-36/h31-41,45-46H,12-30H2,1-11H3,(H,54,61)(H,55,68)(H,56,70)(H,57,71)(H,58,67)(H,59,66)(H,60,69)(H,62,63)(H,64,65)/t36-,37+,38+,39+,40+,41+,45+,46+/m1/s1
C53H93N7O131036.34461100
78439863

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C53H93N7O13/c1-13-34(10)27-35(11)20-18-16-14-15-17-19-21-37-28-43(61)55-38(22-23-44(62)63)48(67)60-46(33(8)9)52(71)58-39(24-30(2)3)49(68)54-36(12)47(66)56-41(29-45(64)65)51(70)57-40(25-31(4)5)50(69)59-42(26-32(6)7)53(72)73-37/h30-42,46H,13-29H2,1-12H3,(H,54,68)(H,55,61)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,62,63)(H,64,65)/t34?,35?,36-,37+,38-,39-,40-,41+,42+,46+/m0/s1
C53H93N7O131036.34461100
24604425

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m0/s1
C53H93N7O131036.34461100

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