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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 216 results

Search term: C28H37N5O7 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
406229

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
C28H37N5O7555.6227667105
3766

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)
C28H37N5O7555.622725738964
10972076

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H37N5O7/c1-6-7-13-32-23(29)22(24(35)30-28(32)39)31(14-12-16(2)3)20(34)15-40-27(38)21(17(4)5)33-25(36)18-10-8-9-11-19(18)26(33)37/h8-11,16-17,21H,6-7,12-15,29H2,1-5H3,(H,30,35,39)
C28H37N5O7555.622710800
2357732

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C28H37N5O7/c1-17(2)12-21(29)26(37)33-22(13-18-6-4-3-5-7-18)27(38)31-15-24(35)30-16-25(36)32-23(28(39)40)14-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,38)(H,32,36)(H,33,37)(H,39,40)
C28H37N5O7555.6226799999989400
7874232

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C28H37N5O7/c1-16(29-30-24-7-5-19(32(37)38)14-25(24)33(39)40)26-17(15-31(35)36)12-23-21-6-4-18-13-20(34)8-10-27(18,2)22(21)9-11-28(23,26)3/h4-5,7,14,17,20-23,26,30,34H,6,8-13,15H2,1-3H3/b29-16-/t17-,20-,21?,22?,23?,26-,27-,28-/m0/s1
C28H37N5O7555.62278300
8590723

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m1/s1
C28H37N5O7555.62278600
4979792

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H37N5O7/c1-6-22(33-13-7-8-20(27(33)38)31-25(36)21-14-17(2)40-32-21)26(37)30-19(15-18-11-12-29-24(18)35)9-10-23(34)39-16-28(3,4)5/h7-10,13-14,18-19,22H,6,11-12,15-16H2,1-5H3,(H,29,35)(H,30,37)(H,31,36)/b10-9+/t18-,19+,22-/m0/s1
C28H37N5O7555.62276400
8590722

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23+/m0/s1
C28H37N5O7555.62275400
4344661

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H37N5O7/c1-16(29-30-24-7-5-19(32(37)38)14-25(24)33(39)40)26-17(15-31(35)36)12-23-21-6-4-18-13-20(34)8-10-27(18,2)22(21)9-11-28(23,26)3/h4-5,7,14,17,20-23,26,30,34H,6,8-13,15H2,1-3H3
C28H37N5O7555.6226799999984100
4589422

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H37N5O7/c1-16(2)24(28(39)40)33-27(38)22(14-18-7-5-4-6-8-18)32-23(35)15-30-25(36)17(3)31-26(37)21(29)13-19-9-11-20(34)12-10-19/h4-12,16-17,21-22,24,34H,13-15,29H2,1-3H3,(H,30,36)(H,31,37)(H,32,35)(H,33,38)(H,39,40)/t17-,21-,22-,24-/m0/s1
C28H37N5O7555.62274300
4932086

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H37N5O7/c1-3-17(2)25(28(39)40)33-27(38)22(14-18-7-5-4-6-8-18)32-24(36)16-30-23(35)15-31-26(37)21(29)13-19-9-11-20(34)12-10-19/h4-12,17,21-22,25,34H,3,13-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t17-,21-,22-,25-/m0/s1
C28H37N5O7555.62274400
62733602

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H37N5O7/c1-29-16-26(34)33-9-6-24-25(17-33)39-18-19-4-3-5-21(12-19)40-23-14-20(13-22(15-23)38-11-10-37-2)27(35)30-7-8-31-28(36)32-24/h3-5,12-15,24-25,29H,6-11,16-18H2,1-2H3,(H,30,35)(H2,31,32,36)/t24-,25-/m0/s1
C28H37N5O7555.62274300
76830312

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H37N5O7/c1-4-39-27(37)28(9-6-12-38-3)14-21-7-5-8-22(13-21)40-18-25(35)29-10-11-33(17-24(34)32-19-28)26(36)23-16-30-20(2)15-31-23/h5,7-8,13,15-16H,4,6,9-12,14,17-19H2,1-3H3,(H,29,35)(H,32,34)
C28H37N5O7555.62274400
8613108

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H37N5O7/c1-17(2)12-21(29)26(37)33-22(13-18-6-4-3-5-7-18)27(38)31-15-24(35)30-16-25(36)32-23(28(39)40)14-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,38)(H,32,36)(H,33,37)(H,39,40)/t21-,22-,23-/m0/s1
C28H37N5O7555.62273200
13928578

Double-bond stereo
InChI=1/C24H33N5O3.C4H4O4/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2;5-3(6)1-2-4(7)8/h4-9,18H,10-17H2,1-3H3,(H,25,30);1-2H,(H,5,6)(H,7,8)/b;2-1+
C28H37N5O7555.62273300
23240678

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H37N5O7/c1-17(2)24(33-26(37)21(14-23(30)35)31-25(36)20(29)15-34)27(38)32-22(13-18-9-5-3-6-10-18)28(39)40-16-19-11-7-4-8-12-19/h3-12,17,20-22,24,34H,13-16,29H2,1-2H3,(H2,30,35)(H,31,36)(H,32,38)(H,33,37)/t20-,21-,22-,24-/m0/s1
C28H37N5O7555.62273300
23268265

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H37N5O7/c1-7-8-14-20(22(34)24(35)29-16(2)19-12-10-9-11-13-19)30-27(38)39-23-25(36)33(15-28(23,5)6)26(37)31-21-17(3)32-40-18(21)4/h9-13,16,20,23H,7-8,14-15H2,1-6H3,(H,29,35)(H,30,38)(H,31,37)/t16-,20+,23-/m1/s1
C28H37N5O7555.62273300
25035286

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H37N5O7/c1-2-3-9-21(31-26(38)20(29)14-18-10-12-19(34)13-11-18)27(39)33-23(16-24(35)36)28(40)32-22(25(30)37)15-17-7-5-4-6-8-17/h4-8,10-13,20-23,34H,2-3,9,14-16,29H2,1H3,(H2,30,37)(H,31,38)(H,32,40)(H,33,39)(H,35,36)/t20-,21-,22-,23-/m0/s1
C28H37N5O7555.62273300
26341705

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H37N5O7/c1-16(2)29-27(36)30-19-6-8-22-21(10-19)26(35)33(18(4)14-34)12-17(3)25(40-22)13-32(5)28(37)31-20-7-9-23-24(11-20)39-15-38-23/h6-11,16-18,25,34H,12-15H2,1-5H3,(H,31,37)(H2,29,30,36)/t17-,18+,25+/m0/s1
C28H37N5O7555.62273200
26395897

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H37N5O7/c1-16(2)29-28(37)32(5)13-24-17(3)12-33(18(4)14-34)26(35)20-7-6-8-21(25(20)40-24)31-27(36)30-19-9-10-22-23(11-19)39-15-38-22/h6-11,16-18,24,34H,12-15H2,1-5H3,(H,29,37)(H2,30,31,36)/t17-,18+,24+/m0/s1
C28H37N5O7555.62273200
12345

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