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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 357 results

Search term: C25H28O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
558181

Double-bond stereo
InChI=1/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+
C25H28O4392.4874415200
9771069

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
C25H28O4392.4874363100
421912

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O4/c1-15(2)5-9-19-20(13-17-11-12-25(3,4)29-24(17)23(19)27)21-10-7-16-6-8-18(26)14-22(16)28-21/h5-6,8,11-14,21,26-27H,7,9-10H2,1-4H3/t21-/m0/s1
C25H28O4392.4874352800
9999997
InChI=1/C25H28O4/c26-16-17-27-18-19-28-20-21-29-25(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2
C25H28O4392.4874333100
421852

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3
C25H28O4392.4874282900
4444709

Double-bond stereo
InChI=1/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+
C25H28O4392.48742242300
8583649

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1
C25H28O4392.4874231900
1016549
InChI=1/C25H28O4/c1-24(2)12-18(26)22(19(27)13-24)17(11-10-16-8-6-5-7-9-16)23-20(28)14-25(3,4)15-21(23)29/h5-9,17,26,28H,12-15H2,1-4H3
C25H28O4392.4874221200
1438691
InChI=1/C25H28O4/c1-5-6-7-8-19-9-11-20(12-10-19)22(26)15-28-23-14-13-21-16(2)17(3)25(27)29-24(21)18(23)4/h9-14H,5-8,15H2,1-4H3
C25H28O4392.4874221300
321822

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
C25H28O4392.4874211600
4475779

Double-bond stereo
InChI=1/C25H28O4/c1-16(2)5-9-19-15-18(7-12-22(19)26)8-13-23(27)21-11-14-24(28)20(25(21)29)10-6-17(3)4/h5-8,11-15,26,28-29H,9-10H2,1-4H3/b13-8+
C25H28O4392.4874202100
4726974

Double-bond stereo
InChI=1/C25H28O4/c1-16(2)7-6-8-17(3)13-14-28-23-12-11-21-20-10-9-19(27-5)15-22(20)25(26)29-24(21)18(23)4/h7,9-13,15H,6,8,14H2,1-5H3/b17-13+
C25H28O4392.4874201100
391113

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1
C25H28O4392.4874182000
29289750
InChI=1/C25H28O4/c1-7-9-19-15-21(11-13-23(19)28-17(3)26)25(5,6)22-12-14-24(29-18(4)27)20(16-22)10-8-2/h7-8,11-16H,1-2,9-10H2,3-6H3
C25H28O4392.4874171900
4262592

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
C25H28O4392.48742171500
3279225

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28O4/c1-15(2)5-7-17-11-19(12-18(25(17)28)8-6-16(3)4)23-14-22(27)21-10-9-20(26)13-24(21)29-23/h5-6,9-13,23,26,28H,7-8,14H2,1-4H3
C25H28O4392.487416900
3615003

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H28O4/c1-5-29-25(27)24-22(18-11-9-17(10-12-18)16(2)3)14-20(15-23(24)26)19-7-6-8-21(13-19)28-4/h6-13,15-16,22,24H,5,14H2,1-4H3
C25H28O4392.48742151000
4444631

Double-bond stereo
InChI=1/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+
C25H28O4392.48742151400
1499116
InChI=1/C25H28O4/c1-4-5-6-10-13-21-17(2)20-14-15-23(18(3)24(20)29-25(21)27)28-16-22(26)19-11-8-7-9-12-19/h7-9,11-12,14-15H,4-6,10,13,16H2,1-3H3
C25H28O4392.4874151000
2146780

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C25H28O4/c1-16-13-24(3)21-17(2)25(16,15-28-23(26)18-9-5-4-6-10-18)14-27-22(21)19-11-7-8-12-20(19)29-24/h4-12,16-17,21-22H,13-15H2,1-3H3
C25H28O4392.48742151000
12345

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