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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 133 results

Search term: C33H40O21 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4591012

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1
C33H40O21772.6581131400
8366264

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
C33H40O21772.6581121200
60601133

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-17(37)22(42)25(45)31(49-9)48-8-15-19(39)24(44)27(47)33(52-15)54-30-21(41)16-13(50-28(30)10-2-4-11(35)5-3-10)6-12(36)29(20(16)40)53-32-26(46)23(43)18(38)14(7-34)51-32/h2-6,9,14-15,17-19,22-27,31-40,42-47H,7-8H2,1H3/t9-,14+,15+,17-,18+,19+,22+,23-,24-,25+,26+,27+,31+,32-,33-/m0/s1
C33H40O21772.658111900
82827035

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)49-11-5-14(38)18-15(6-11)50-28(10-2-3-12(36)13(37)4-10)29(22(18)42)53-33-30(25(45)21(41)17(8-35)52-33)54-32-27(47)24(44)20(40)16(7-34)51-32/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1
C33H40O21772.658110900
4445353

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1
C33H40O21772.6581101100
4590151

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(39)22(42)25(45)31(49-9)48-8-17-29(53-32-26(46)23(43)20(40)16(7-34)51-32)24(44)27(47)33(52-17)54-30-21(41)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-27,29,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,22+,23-,24+,25+,26+,27+,29+,31+,32+,33-/m0/s1
C33H40O21772.6581101000
4589330

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)54-30-25(45)21(41)17(8-35)52-33(30)53-29-22(42)18-14(38)5-11(49-32-27(47)24(44)20(40)16(7-34)51-32)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,30+,31-,32+,33-/m0/s1
C33H40O21772.65818700
59696371

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)48-8-17-21(41)25(45)30(54-32-27(47)24(44)20(40)16(7-34)51-32)33(52-17)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1
C33H40O21772.65818800
115005822

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
C33H40O21772.65815500
4478169

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-8-18(38)23(43)26(46)31(49-8)48-7-16-21(41)25(45)30(54-32-27(47)24(44)19(39)9(2)50-32)33(52-16)53-29-22(42)17-12(35)5-11(34)6-15(17)51-28(29)10-3-13(36)20(40)14(37)4-10/h3-6,8-9,16,18-19,21,23-27,30-41,43-47H,7H2,1-2H3/t8-,9-,16+,18-,19-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
C33H40O21772.65814400
10189003

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H40O21/c1-47-14-3-2-10(4-15(14)50-32-27(46)24(43)21(40)17(7-34)51-32)28-29(23(42)19-12(37)5-11(36)6-16(19)49-28)53-33-30(25(44)22(41)18(8-35)52-33)54-31-26(45)20(39)13(38)9-48-31/h2-6,13,17-18,20-22,24-27,30-41,43-46H,7-9H2,1H3/t13-,17-,18-,20+,21-,22-,24+,25+,26-,27-,30-,31+,32-,33+/m1/s1
C33H40O21772.65814411
28494108

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1
C33H40O21772.65814400
30777647

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-28(53-32-25(45)22(42)19(39)16(7-34)51-32)24(44)27(47)31(49-9)48-8-17-20(40)23(43)26(46)33(52-17)54-30-21(41)18-14(38)5-11(35)6-15(18)50-29(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19+,20+,22-,23-,24-,25+,26+,27+,28-,31+,32-,33-/m0/s1
C33H40O21772.65814400
58829964

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m0/s1
C33H40O21772.65813300
24685899

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(38)23(42)26(45)31(48-9)49-11-5-13(37)18-15(6-11)50-29(30(22(18)41)54-33-28(47)25(44)21(40)17(8-35)53-33)10-2-3-14(12(36)4-10)51-32-27(46)24(43)20(39)16(7-34)52-32/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31-,32+,33-/m0/s1
C33H40O21772.65813300
82965326

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)49-11-5-14(38)18-15(6-11)50-28(10-2-3-12(36)13(37)4-10)29(22(18)42)53-33-30(25(45)21(41)17(8-35)52-33)54-32-27(47)24(44)20(40)16(7-34)51-32/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17-,19-,20-,21-,23+,24+,25+,26+,27-,30-,31-,32+,33+/m1/s1
C33H40O21772.65813200
82965987

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-17(37)22(42)25(45)31(49-9)48-8-15-19(39)24(44)27(47)33(52-15)54-30-21(41)16-13(50-28(30)10-2-4-11(35)5-3-10)6-12(36)29(20(16)40)53-32-26(46)23(43)18(38)14(7-34)51-32/h2-6,9,14-15,17-19,22-27,31-40,42-47H,7-8H2,1H3/t9-,14+,15+,17-,18+,19+,22-,23-,24-,25+,26+,27+,31+,32-,33-/m1/s1
C33H40O21772.65813200
101935840

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-10-19(37)24(42)29(45)32(46,52-10)54-30-25(43)20(38)11(2)53-33(30,47)48-9-17-21(39)23(41)26(44)31(50-17)51-28-22(40)18-15(36)7-14(35)8-16(18)49-27(28)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-26,29-31,34-39,41-47H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23-,24+,25+,26+,29+,30+,31-,32+,33-/m0/s1
C33H40O21772.65813300
8388128

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-28(53-33-26(46)23(43)20(40)17(52-33)8-48-31-25(45)22(42)19(39)16(7-34)51-31)24(44)27(47)32(49-9)54-30-21(41)18-14(38)5-11(35)6-15(18)50-29(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19+,20+,22-,23-,24-,25+,26+,27+,28-,31+,32-,33-/m0/s1
C33H40O21772.65813200
8503316

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)48-8-17-21(41)25(45)30(54-32-27(47)24(44)20(40)16(7-34)51-32)33(52-17)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1
C33H40O21772.65813200
12345

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