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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 510 results

Search term: C25H28O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
110549

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1
C25H28O5408.4868353900
23332561

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H28O5/c1-14(2)9-10-16(15(3)4)11-18-20(27)12-21(28)24-22(29)13-23(30-25(18)24)17-7-5-6-8-19(17)26/h5-9,12,16,23,26-28H,3,10-11,13H2,1-2,4H3/t16-,23+/m1/s1
C25H28O5408.4868272600
2381204
InChI=1/C25H28O5/c1-24(2)10-16(26)21-18(12-24)30-19-13-25(3,4)11-17(27)22(19)20(21)14-6-8-15(9-7-14)23(28)29-5/h6-9,20H,10-13H2,1-5H3
C25H28O5408.48682261200
889760
InChI=1/C25H28O5/c1-14(26)29-16-8-6-15(7-9-16)21-22-17(27)10-24(2,3)12-19(22)30-20-13-25(4,5)11-18(28)23(20)21/h6-9,21H,10-13H2,1-5H3
C25H28O5408.4868251500
1304649
InChI=1/C25H28O5/c1-5-7-16-12-18-22(14-21(16)29-15(3)4)30-19(6-2)24(25(18)26)17-8-9-20-23(13-17)28-11-10-27-20/h8-9,12-15H,5-7,10-11H2,1-4H3
C25H28O5408.4868241400
390671

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3/t22-/m0/s1
C25H28O5408.4868242000
998856
InChI=1/C25H28O5/c1-5-7-20-24(17-8-9-19-23(13-17)28-11-10-27-19)25(26)18-12-16(6-2)21(29-15(3)4)14-22(18)30-20/h8-9,12-15H,5-7,10-11H2,1-4H3
C25H28O5408.4868231300
1400255
InChI=1/C25H28O5/c1-4-5-6-7-8-22-17(2)21-14-13-20(15-24(21)30-25(22)27)29-16-23(26)18-9-11-19(28-3)12-10-18/h9-15H,4-8,16H2,1-3H3
C25H28O5408.4868231300
1408527
InChI=1/C25H28O5/c1-4-5-6-7-11-22-17(2)21-13-12-20(15-24(21)30-25(22)27)29-16-23(26)18-9-8-10-19(14-18)28-3/h8-10,12-15H,4-7,11,16H2,1-3H3
C25H28O5408.4868221100
1415778

Double-bond stereo
InChI=1/C25H28O5/c1-16-10-19(12-17-14-21(27-2)6-8-23(17)29-4)25(26)20(11-16)13-18-15-22(28-3)7-9-24(18)30-5/h6-9,12-16H,10-11H2,1-5H3/b19-12+,20-13+
C25H28O5408.4868221800
2966133
InChI=1/C25H28O5/c1-5-6-7-8-9-21-16(2)20-14-15-22(17(3)23(20)30-25(21)27)29-24(26)18-10-12-19(28-4)13-11-18/h10-15H,5-9H2,1-4H3
C25H28O5408.48682221200
1384710
InChI=1/C25H28O5/c1-12-13(2)15(4)21(16(5)14(12)3)11-29-22-9-8-19-17(6)20(10-23(26)27)25(28)30-24(19)18(22)7/h8-9H,10-11H2,1-7H3,(H,26,27)
C25H28O5408.4868221100
3814

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3
C25H28O5408.4868221781
877990
InChI=1/C25H28O5/c1-28-22-14-15(12-13-19(22)29-16-6-2-3-7-16)23-24-17(26)8-4-10-20(24)30-21-11-5-9-18(27)25(21)23/h12-14,16,23H,2-11H2,1H3
C25H28O5408.4868211200
4653755

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1
C25H28O5408.4868212000
1742748
InChI=1/C25H28O5/c1-3-5-6-8-13-19-14-21-20(18-11-9-7-10-12-18)15-24(26)30-23(21)16-22(19)29-17-25(27)28-4-2/h7,9-12,14-16H,3-6,8,13,17H2,1-2H3
C25H28O5408.4868211200
1408037
InChI=1/C25H28O5/c1-5-6-7-8-12-21-16(2)20-13-14-22(17(3)23(20)30-25(21)27)29-24(26)18-10-9-11-19(15-18)28-4/h9-11,13-15H,5-8,12H2,1-4H3
C25H28O5408.4868211100
91440

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3
C25H28O5408.4868202000
1384576
InChI=1/C25H28O5/c1-15-19-10-12-21(29-14-17-6-8-18(9-7-17)25(3,4)5)16(2)23(19)30-24(28)20(15)11-13-22(26)27/h6-10,12H,11,13-14H2,1-5H3,(H,26,27)
C25H28O5408.4868201100
1384577
InChI=1/C25H28O5/c1-15-19-11-12-21(29-14-17-7-9-18(10-8-17)25(3,4)5)16(2)23(19)30-24(27)20(15)13-22(26)28-6/h7-12H,13-14H2,1-6H3
C25H28O5408.4868201000
12345

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