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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 54 results

Search term: C27H34N2O9 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
141721

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1
C27H34N2O9530.5669373800
21896733
InChI=1/C27H34N2O9/c30-25(18-37-19-26(31)32)28-9-11-34-13-15-36-16-14-35-12-10-29-27(33)38-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,24H,9-19H2,(H,28,30)(H,29,33)(H,31,32)
C27H34N2O9530.5669342800
57264718
InChI=1/C27H34N2O9/c30-25(28-9-11-34-14-16-37-19-26(31)32)18-36-15-13-35-12-10-29-27(33)38-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,24H,9-19H2,(H,28,30)(H,29,33)(H,31,32)
C27H34N2O9530.5669282900
30743866
InChI=1/C25H32N2O5.C2H2O4/c1-18(28)21-4-6-22(7-5-21)26-25(29)15-27-10-8-19(9-11-27)16-32-17-20-12-23(30-2)14-24(13-20)31-3;3-1(4)2(5)6/h4-7,12-14,19H,8-11,15-17H2,1-3H3,(H,26,29);(H,3,4)(H,5,6)
C27H34N2O9530.566910800
32083219

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C27H34N2O9/c1-13-4-5-16(14(2)10-13)29-8-6-28(7-9-29)11-15-18-19(22(33)25(36-3)20(15)31)24-26(38-27(18)35)23(34)21(32)17(12-30)37-24/h4-5,10,17,21,23-24,26,30-34H,6-9,11-12H2,1-3H3/t17-,21-,23+,24?,26?/m1/s1
C27H34N2O9530.56698500
29769132

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H34N2O9/c1-13-4-5-16(14(2)10-13)29-8-6-28(7-9-29)11-15-18-19(22(33)25(36-3)20(15)31)24-26(38-27(18)35)23(34)21(32)17(12-30)37-24/h4-5,10,17,21,23-24,26,30-34H,6-9,11-12H2,1-3H3/t17-,21-,23+,24+,26-/m1/s1
C27H34N2O9530.56698600
10902654

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H32N2O5.C2H2O4/c1-3-4-19-5-7-22(24(13-19)29-2)30-17-21(28)16-27-11-9-26(10-12-27)15-20-6-8-23-25(14-20)32-18-31-23;3-1(4)2(5)6/h3-8,13-14,21,28H,9-12,15-18H2,1-2H3;(H,3,4)(H,5,6)/b4-3+;
C27H34N2O9530.56697400
30640852

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H32N2O5.C2H2O4/c1-3-4-19-5-7-22(24(13-19)29-2)30-17-21(28)16-27-11-9-26(10-12-27)15-20-6-8-23-25(14-20)32-18-31-23;3-1(4)2(5)6/h3-8,13-14,21,28H,9-12,15-18H2,1-2H3;(H,3,4)(H,5,6)
C27H34N2O9530.56696700
10197158

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H34N2O9/c1-3-13-16(17(11-30)26(35)36-2)10-19-21-15(14-6-4-5-7-18(14)28-21)8-9-29(19)25(13)38-27-24(34)23(33)22(32)20(12-31)37-27/h3-7,11,13,16,19-20,22-25,27-28,30-34H,1,8-10,12H2,2H3/b17-11-/t13-,16-,19-,20+,22+,23-,24+,25-,27-/m0/s1
C27H34N2O9530.56694522
23327200

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H34N2O9/c1-3-13-16(17(11-30)26(35)36-2)10-19-21-15(14-6-4-5-7-18(14)28-21)8-9-29(19)25(13)38-27-24(34)23(33)22(32)20(12-31)37-27/h3-7,11,13,16,19-20,22-25,27-28,30-34H,1,8-10,12H2,2H3/b17-11-/t13-,16-,19-,20-,22-,23+,24-,25-,27+/m0/s1
C27H34N2O9530.56693300
26578971

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19-,20-,22-,23+,24-,26+,27+/m1/s1
C27H34N2O9530.56693400
2512293

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3
C27H34N2O9530.566936500
81414089
InChI=1/C25H32N2O5.C2H2O4/c1-26(11-8-18-4-6-21(29-2)23(14-18)30-3)25(28)20-9-12-27(13-10-20)16-19-5-7-22-24(15-19)32-17-31-22;3-1(4)2(5)6/h4-7,14-15,20H,8-13,16-17H2,1-3H3;(H,3,4)(H,5,6)
C27H34N2O9530.56693200
108341289

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H34N2O9/c1-3-13(11-30)15-9-18-22-14(7-8-29(18)10-16(15)26(35)36-2)21-17(28-22)5-4-6-19(21)37-27-25(34)24(33)23(32)20(12-31)38-27/h3-6,10,13,15,18,20,23-25,27-28,30-34H,1,7-9,11-12H2,2H3/t13-,15-,18-,20+,23+,24-,25+,27+/m0/s1
C27H34N2O9530.56693300
5045966

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H34N2O9/c1-6-8-16(3)24(31)36-22-21(38-27(33)29-19-12-10-18(14-28)11-13-19)20(15-30)35-26(34-5)23(22)37-25(32)17(4)9-7-2/h6-7,10-13,16-17,20-23,26,30H,1-2,8-9,15H2,3-5H3,(H,29,33)/t16-,17-,20+,21+,22-,23-,26-/m0/s1
C27H34N2O9530.56692100
5045985

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H34N2O9/c1-6-8-16(3)24(31)36-22-21(38-27(33)29-19-12-10-18(14-28)11-13-19)20(15-30)35-26(34-5)23(22)37-25(32)17(4)9-7-2/h6-7,10-13,16-17,20-23,26,30H,1-2,8-9,15H2,3-5H3,(H,29,33)/t16-,17-,20+,21+,22-,23+,26-/m0/s1
C27H34N2O9530.56692100
5045986

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H34N2O9/c1-6-8-16(3)24(31)36-22-21(38-27(33)29-19-12-10-18(14-28)11-13-19)20(15-30)35-26(34-5)23(22)37-25(32)17(4)9-7-2/h6-7,10-13,16-17,20-23,26,30H,1-2,8-9,15H2,3-5H3,(H,29,33)/t16-,17-,20-,21+,22+,23-,26+/m1/s1
C27H34N2O9530.56692100
8567667

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H34N2O9/c1-3-13-16(17(11-30)26(35)36-2)10-19-21-15(14-6-4-5-7-18(14)28-21)8-9-29(19)25(13)38-27-24(34)23(33)22(32)20(12-31)37-27/h3-7,11,13,16,19-20,22-25,27-28,30-34H,1,8-10,12H2,2H3/b17-11-/t13-,16-,19?,20-,22-,23+,24-,25-,27+/m0/s1
C27H34N2O9530.56692100
8943868

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H34N2O9/c1-19(2)16-36-25(31)24(22(30)15-23-34-13-14-35-23)29(27(33)38-18-21-11-7-4-8-12-21)28-26(32)37-17-20-9-5-3-6-10-20/h3-12,19,22-24,30H,13-18H2,1-2H3,(H,28,32)/t22-,24-/m0/s1
C27H34N2O9530.56692100
9679487

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H34N2O9/c1-5-6-7-8-9-10-11-12-13-21-14-20-15-29(27(33)28-25(20)37-21)26-24(36-19(4)32)23(35-18(3)31)22(38-26)16-34-17(2)30/h14-15,22-24,26H,5-11,16H2,1-4H3/t22-,23-,24-,26-/m1/s1
C27H34N2O9530.56692100
123

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