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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 4042 results

Search term: C27H28N4O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3599894

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H28N4O4/c1-5-14-35-22-13-12-19(15-17(22)3)24-21(16-31(30-24)20-10-8-7-9-11-20)25-23(26(32)34-6-2)18(4)28-27(33)29-25/h5,7-13,15-16,25H,1,6,14H2,2-4H3,(H2,28,29,33)
C27H28N4O4472.53562271700
2936991

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H28N4O4/c1-15(2)34-26(32)23-17(4)28-27(33)29-25(23)21-14-31(20-8-6-5-7-9-20)30-24(21)18-10-11-22-19(13-18)12-16(3)35-22/h5-11,13-16,25H,12H2,1-4H3,(H2,28,29,33)
C27H28N4O4472.53562241600
2191128

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H28N4O4/c1-5-15-34-21-13-11-19(12-14-21)24-22(16-31(30-24)20-9-7-6-8-10-20)25-23(26(32)35-17(2)3)18(4)28-27(33)29-25/h5-14,16-17,25H,1,15H2,2-4H3,(H2,28,29,33)
C27H28N4O4472.53562221800
981541
InChI=1/C27H28N4O4/c1-18(2)14-15-35-22-12-10-19(11-13-22)24-20(17-31(28-24)21-8-6-5-7-9-21)16-23-25(32)29(3)27(34)30(4)26(23)33/h5-13,16-18H,14-15H2,1-4H3
C27H28N4O4472.5356211000
2824948

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H28N4O4/c1-33-21-5-3-19(4-6-21)20-13-23-22(24(32)14-20)15-28-27(29-23)31-10-8-30(9-11-31)16-18-2-7-25-26(12-18)35-17-34-25/h2-7,12,15,20H,8-11,13-14,16-17H2,1H3
C27H28N4O4472.53562211300
2241577
InChI=1/C27H28N4O4/c32-27(23-8-6-22(7-9-23)21-4-2-1-3-5-21)30-14-12-28(13-15-30)24-10-11-25(31(33)34)26(20-24)29-16-18-35-19-17-29/h1-11,20H,12-19H2
C27H28N4O4472.53562211500
2529899

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H28N4O4/c1-5-19(18-12-8-7-9-13-18)25(32)29-24-21(27(34)35-6-2)16-20-23(31(24)17(3)4)28-22-14-10-11-15-30(22)26(20)33/h7-17,19H,5-6H2,1-4H3/b29-24-
C27H28N4O4472.5356181100
1611338

Double-bond stereo
InChI=1/C27H28N4O4/c1-4-35-27(34)21-16-20-24(28-22-12-8-9-15-30(22)26(20)33)31(17-18(2)3)25(21)29-23(32)14-13-19-10-6-5-7-11-19/h5-12,15-16,18H,4,13-14,17H2,1-3H3/b29-25-
C27H28N4O4472.5356181000
2193335
InChI=1/C27H28N4O4/c1-35-24-9-6-21(7-10-24)27(32)29-16-14-28(15-17-29)23-8-11-25(31(33)34)26(18-23)30-13-12-20-4-2-3-5-22(20)19-30/h2-11,18H,12-17,19H2,1H3
C27H28N4O4472.53562181500
10900946

Double-bond stereo
InChI=1/C27H28N4O4/c1-6-35-27(34)21-14-20-23(28-22-9-7-8-10-30(22)26(20)33)31(15-16(2)3)24(21)29-25(32)19-12-17(4)11-18(5)13-19/h7-14,16H,6,15H2,1-5H3/b29-24-
C27H28N4O4472.535618800
10901030

Double-bond stereo
InChI=1/C27H28N4O4/c1-6-35-27(34)21-14-20-23(28-22-9-7-8-12-30(22)26(20)33)31(15-16(2)3)24(21)29-25(32)19-11-10-17(4)18(5)13-19/h7-14,16H,6,15H2,1-5H3/b29-24-
C27H28N4O4472.535618800
4503411

Double-bond stereo
InChI=1/C27H28N4O4/c1-4-31-24-8-6-5-7-22(24)23-16-20(11-14-25(23)31)28-26(32)15-18(2)29-30-27(33)35-17-19-9-12-21(34-3)13-10-19/h5-14,16H,4,15,17H2,1-3H3,(H,28,32)(H,30,33)/b29-18+
C27H28N4O4472.5356181300
4455985

Double-bond stereo
InChI=1/C27H28N4O4/c1-18(2)17-35-20-11-9-19(10-12-20)26(32)31-24(16-21-6-5-15-34-21)27(33)28-14-13-25-29-22-7-3-4-8-23(22)30-25/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)/b24-16-
C27H28N4O4472.53562171200
12899780
InChI=1/C27H28N4O4/c1-3-20-4-6-21(7-5-20)27(33)30-16-14-29(15-17-30)24-11-9-23(10-12-24)28-26(32)22-8-13-25(31(34)35)19(2)18-22/h4-13,18H,3,14-17H2,1-2H3,(H,28,32)
C27H28N4O4472.5356171100
4025808
InChI=1/C27H28N4O4/c1-3-31(17-25(33)29-22-15-13-21(14-16-22)28-19(2)32)18-26(34)30-24-12-8-7-11-23(24)27(35)20-9-5-4-6-10-20/h4-16H,3,17-18H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)
C27H28N4O4472.53562171200
4316489

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H28N4O4/c1-17(2)23(27(35)31-30-25(33)19-9-5-4-6-10-19)29-26(34)21-11-7-8-12-22(21)28-24(32)20-15-13-18(3)14-16-20/h4-17,23H,1-3H3,(H,28,32)(H,29,34)(H,30,33)(H,31,35)
C27H28N4O4472.53562161200
3627274
InChI=1/C27H28N4O4/c1-17-21(23(30-34-17)19-11-7-5-8-12-19)25(32)28-15-27(3,4)16-29-26(33)22-18(2)35-31-24(22)20-13-9-6-10-14-20/h5-14H,15-16H2,1-4H3,(H,28,32)(H,29,33)
C27H28N4O4472.53562161300
16780563

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H28N4O4/c1-18-13-14-19(2)23(15-18)30-25(32)17-35-24-12-8-7-11-22(24)16-28-31-27(34)26(33)29-20(3)21-9-5-4-6-10-21/h4-16,20H,17H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)/b28-16+
C27H28N4O4472.535616900
17520626

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H28N4O4/c1-2-18-35-23-10-8-21(9-11-23)29-25(32)19-24-26(33)31(22-6-4-3-5-7-22)27(34)30(24)17-14-20-12-15-28-16-13-20/h3-13,15-16,24H,2,14,17-19H2,1H3,(H,29,32)
C27H28N4O4472.5356161400
4953084

Double-bond stereo
InChI=1/C23H24N4.C4H4O4/c1-26(2)16-9-17-27-21-14-7-6-12-19(21)22(18-10-4-3-5-11-18)25-20-13-8-15-24-23(20)27;5-3(6)1-2-4(7)8/h3-8,10-15H,9,16-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
C27H28N4O4472.5356161800
12345

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