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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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Found 26 results

Search term: C27H26O11 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113173

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c1-11-12(9-28)6-18(37-11)38-16-8-27(35,17(30)10-29)7-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33/h3-5,9,11-12,16,18,29,32,34-35H,6-8,10H2,1-2H3/t11-,12+,16-,18-,27-/m0/s1
C27H26O11526.48877600
9960492

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c1-11-22(28)23(29)24(30)27(37-11)38-25-14-8-18(33-3)17(32-2)7-13(14)20(21-15(25)9-34-26(21)31)12-4-5-16-19(6-12)36-10-35-16/h4-8,11,22-24,27-30H,9-10H2,1-3H3/t11-,22-,23+,24-,27+/m1/s1
C27H26O11526.48876400
10184263

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1
C27H26O11526.48875600
4481088

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1
C27H26O11526.48875600
9652849

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c1-11-22(28)23(29)24(30)27(37-11)38-25-14-8-18(33-3)17(32-2)7-13(14)20(21-15(25)9-34-26(21)31)12-4-5-16-19(6-12)36-10-35-16/h4-8,11,22-24,27-30H,9-10H2,1-3H3/t11-,22+,23+,24-,27+/m0/s1
C27H26O11526.48874300
28480878

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c1-11-22(28)23(29)24(30)27(37-11)38-25-14-8-18(33-3)17(32-2)7-13(14)20(21-15(25)9-34-26(21)31)12-4-5-16-19(6-12)36-10-35-16/h4-8,11,22-24,27-30H,9-10H2,1-3H3/t11-,22+,23+,24-,27+/m1/s1
C27H26O11526.48873200
76818989

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c28-13-21-22(31)24(38-26(34)16-6-8-18(29)9-7-16)23(32)27(37-21)36-20-11-10-19(30)12-17(20)14-35-25(33)15-4-2-1-3-5-15/h1-12,21-24,27-32H,13-14H2/t21-,22-,23-,24-,27-/m1/s1
C27H26O11526.48873300
9424524

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H26O11/c1-34-21-6-13(4-5-16(21)30)26(19(33)12-28)38-27-23(35-2)7-14(8-24(27)36-3)20-11-18(32)25-17(31)9-15(29)10-22(25)37-20/h4-11,19,26,28-31,33H,12H2,1-3H3
C27H26O11526.48873200
9516407
InChI=1/C27H26O11/c1-12(2)8-9-18-24(36-15(5)30)22-23(32)21-19(35-14(4)29)10-17(34-13(3)28)11-20(21)38-26(22)27(25(18)33-7)37-16(6)31/h8,10-11H,9H2,1-7H3
C27H26O11526.48872100
317382

Double-bond stereo
InChI=1/C27H26O11/c1-13-20(9-8-17-10-18(35-14(2)28)12-19(11-17)36-15(3)29)38-24-21(22(13)31)23(37-16(4)30)25(32-5)27(34-7)26(24)33-6/h8-12H,1-7H3
C27H26O11526.48872100
4533389

Double-bond stereo
InChI=1/C27H26O11/c1-13-20(9-8-17-10-18(35-14(2)28)12-19(11-17)36-15(3)29)38-24-21(22(13)31)23(37-16(4)30)25(32-5)27(34-7)26(24)33-6/h8-12H,1-7H3/b9-8+
C27H26O11526.48872200
8383983

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H26O11/c1-34-19-11-15(3-7-17(19)28)5-9-23(30)36-21-13-27(33)14-22(37-26(27)32)25(21)38-24(31)10-6-16-4-8-18(29)20(12-16)35-2/h3-12,21-22,25,28-29,33H,13-14H2,1-2H3/b9-5+,10-6+
C27H26O11526.48872100
9331862

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c28-13-21-22(31)24(38-26(34)16-6-8-18(29)9-7-16)23(32)27(37-21)36-20-11-10-19(30)12-17(20)14-35-25(33)15-4-2-1-3-5-15/h1-12,21-24,27-32H,13-14H2/t21-,22-,23-,24+,27-/m1/s1
C27H26O11526.48872100
9343563

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H26O11/c1-34-21-6-13(4-5-16(21)30)26(19(33)12-28)38-27-23(35-2)7-14(8-24(27)36-3)20-11-18(32)25-17(31)9-15(29)10-22(25)37-20/h4-11,19,26,28-31,33H,12H2,1-3H3/t19-,26+/m0/s1
C27H26O11526.48872100
24695285

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c28-13-21-22(31)24(38-25(33)15-6-2-1-3-7-15)23(32)27(37-21)36-20-11-10-17(29)12-16(20)14-35-26(34)18-8-4-5-9-19(18)30/h1-12,21-24,27-32H,13-14H2/t21-,22-,23-,24+,27-/m1/s1
C27H26O11526.48872200
24714551

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c28-13-21-24(38-25(33)15-6-2-1-3-7-15)22(31)23(32)27(37-21)36-20-11-10-17(29)12-16(20)14-35-26(34)18-8-4-5-9-19(18)30/h1-12,21-24,27-32H,13-14H2/t21-,22-,23-,24-,27-/m1/s1
C27H26O11526.48872200
24714869

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c28-17-10-11-20(16(12-17)13-35-26(34)18-8-4-5-9-19(18)29)37-27-24(32)23(31)22(30)21(38-27)14-36-25(33)15-6-2-1-3-7-15/h1-12,21-24,27-32H,13-14H2/t21-,22-,23+,24-,27-/m1/s1
C27H26O11526.48872200
24715318

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H26O11/c28-13-21-22(31)23(32)24(38-25(33)15-6-2-1-3-7-15)27(37-21)36-20-11-10-17(29)12-16(20)14-35-26(34)18-8-4-5-9-19(18)30/h1-12,21-24,27-32H,13-14H2/t21-,22-,23+,24-,27-/m1/s1
C27H26O11526.48872200
24842658

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C27H26O11/c28-15-4-1-13(2-5-15)26(34)38-25-24(33)20(32)12-35-27(25)37-23-11-16(29)10-22-17(23)6-8-21(36-22)14-3-7-18(30)19(31)9-14/h1-5,7,9-11,20-21,24-25,27-33H,6,8,12H2/t20-,21+,24+,25?,27+/m1/s1
C27H26O11526.48872200
95640798

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H26O11/c1-11-12(9-28)6-18(37-11)38-16-8-27(35,17(30)10-29)7-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33/h3-5,9-12,16-18,30,32,34-35H,6-8H2,1-2H3
C27H26O11526.48871100
12

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