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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
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Isotopically Labeled
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Found 61 results

Search term: C27H29NO11 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29400

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
C27H29NO11543.519310445234879320758
38201

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
C27H29NO11543.519375105364026
1628

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3
C27H29NO11543.5193261482900
133558

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17+,22-,27-/m0/s1
C27H29NO11543.5193192400
112601

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1
C27H29NO11543.5193121500
17463632

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H29NO11/c1-15(29)28-24-26(37-18(4)32)25(36-17(3)31)23(14-35-16(2)30)39-27(24)38-21-9-7-19(8-10-21)22(33)12-11-20-6-5-13-34-20/h5-13,23-27H,14H2,1-4H3,(H,28,29)/b12-11+/t23-,24-,25-,26-,27-/m1/s1
C27H29NO11543.5193111200
5291856

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17?,22+,27-/m0/s1
C27H29NO11543.519259999999101200
35331538

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H29NO11/c1-13-7-17(29)22(27(31)39-13)15(16-10-20(34-4)25-26(23(16)35-5)38-12-37-25)11-21(30)28-14-8-18(32-2)24(36-6)19(9-14)33-3/h7-10,15,29H,11-12H2,1-6H3,(H,28,30)
C27H29NO11543.5193101100
4704049

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C27H29NO11/c1-15(29)28-24-26(37-18(4)32)25(36-17(3)31)23(14-35-16(2)30)39-27(24)38-21-9-7-19(8-10-21)22(33)12-11-20-6-5-13-34-20/h5-13,23-27H,14H2,1-4H3,(H,28,29)/b12-11+
C27H29NO11543.51938900
140111

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H29NO11/c1-10-22(28)13(30)6-17(38-10)39-15-8-27(36,16(31)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29-30,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
C27H29NO11543.51938900
75777

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17+,22+,27-/m0/s1
C27H29NO11543.51937700
2312366

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H29NO11/c1-9-20(30)19(28)25(35)26(38-9)39-14-8-27(36,10(2)29)7-12-16(14)24(34)18-17(22(12)32)21(31)11-5-4-6-13(37-3)15(11)23(18)33/h4-6,9,14,19-20,25-26,30,32,34-36H,7-8,28H2,1-3H3/t9-,14-,19+,20+,25+,26-,27-/m0/s1
C27H29NO11543.5192599999997700
24541069

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15+,17-,22-,27+/m1/s1
C27H29NO11543.51937900
24672336

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H29NO11/c1-9-18(30)21(33)23(36-3)26(38-9)39-22-16-12(24(34)27(2,35)25(22)37-4)8-11-15(20(16)32)17(28)14-10(19(11)31)6-5-7-13(14)29/h5-9,18,21-23,25-26,28-30,32-33,35H,1-4H3/t9-,18-,21+,22+,23+,25-,26-,27+/m0/s1
C27H29NO11543.51936600
113140

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H29NO11/c1-10-22(32)14(28-9-29)6-17(38-10)39-16-8-27(37,11(2)30)7-13-19(16)26(36)21-20(24(13)34)23(33)12-4-3-5-15(31)18(12)25(21)35/h3-5,9-11,14,16-17,22,30-32,34,36-37H,6-8H2,1-2H3,(H,28,29)
C27H29NO11543.51936600
112695

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H29NO11/c1-10-21(32)13(28)8-16(38-10)39-26-18-12(6-7-27(26,36)15(31)9-29)23(34)19-20(25(18)37-2)24(35)17-11(22(19)33)4-3-5-14(17)30/h3-5,10,13,16,21,26,29-30,32,34,36H,6-9,28H2,1-2H3
C27H29NO11543.51934500
378973

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H29NO11/c1-10-21(29)13(28)7-16(38-10)39-15-9-27(35,26(34)37-3)8-12-18(15)25(33)20-19(23(12)31)22(30)11-5-4-6-14(36-2)17(11)24(20)32/h4-6,10,13,15-16,21,29,31,33,35H,7-9,28H2,1-3H3
C27H29NO11543.51934400
384235

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H29NO11/c1-9-20(30)19(28)25(35)26(38-9)39-14-8-27(36,10(2)29)7-12-16(14)24(34)18-17(22(12)32)21(31)11-5-4-6-13(37-3)15(11)23(18)33/h4-6,9,14,19-20,25-26,30,32,34-36H,7-8,28H2,1-3H3
C27H29NO11543.51934500
26353296

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13+,15-,17-,22+,27-/m0/s1
C27H29NO11543.51933300
24539992

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15+,17-,22-,27?/m1/s1
C27H29NO11543.51933300
1234

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