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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 469 results

Search term: C25H28O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4593093

InChI=1/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
C25H28O6424.4862575200
65766

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15-,23+/m1/s1
C25H28O6424.4862454900
9661895

Double-bond stereo
InChI=1/C25H28O6/c1-25(2,23(26)13-9-17-7-11-19(28-3)21(15-17)30-5)24(27)14-10-18-8-12-20(29-4)22(16-18)31-6/h7-16H,1-6H3/b13-9+,14-10+
C25H28O6424.4862332900
9491179
InChI=1/C25H28O6/c1-13(2)7-9-15-17(26)11-18-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)20(29-5)12-19(21)31-18/h7-8,11-12,26-27H,9-10H2,1-6H3
C25H28O6424.4862313400
65959

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3
C25H28O6424.4862314700
112931

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O6/c1-13(2)5-8-17-23(29)18(9-6-14(3)4)25-22(24(17)30)20(28)12-21(31-25)16-10-7-15(26)11-19(16)27/h5-7,10-11,21,26-27,29-30H,8-9,12H2,1-4H3/t21-/m0/s1
C25H28O6424.4862272600
1273244
InChI=1/C25H28O6/c1-5-6-13-28-23(26)16-29-19-11-12-20-21(14-19)30-15-22(24(20)27)31-18-9-7-17(8-10-18)25(2,3)4/h7-12,14-15H,5-6,13,16H2,1-4H3
C25H28O6424.4862271600
4944672

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+/t23-/m0/s1
C25H28O6424.4862272500
8517751

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+
C25H28O6424.4862262530
3508995

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3
C25H28O6424.48622252200
81713
InChI=1/C25H28O6/c1-5-23(26)30-17-15-28-21-11-7-19(8-12-21)25(3,4)20-9-13-22(14-10-20)29-16-18-31-24(27)6-2/h5-14H,1-2,15-18H2,3-4H3
C25H28O6424.4862252300
1387857
InChI=1/C25H28O6/c1-3-4-5-6-8-16-13-20-18-9-7-10-19(18)24(26)31-23(20)14-22(16)29-15-17-11-12-21(30-17)25(27)28-2/h11-14H,3-10,15H2,1-2H3
C25H28O6424.4862231200
952031

InChI=1/C25H28O6/c1-24(2)9-16(26)22-18(11-24)31-19-12-25(3,4)10-17(27)23(19)21(22)14-5-7-15(8-6-14)30-13-20(28)29/h5-8,21H,9-13H2,1-4H3,(H,28,29)
C25H28O6424.4862231700
2732781

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28O6/c1-24(2)9-8-16-20(30-24)7-6-14(23(16)29-5)11-18(26)17-10-15-12-22(28)25(3,4)31-21(15)13-19(17)27/h6-10,13,22,27-28H,11-12H2,1-5H3
C25H28O6424.48622221900
24846516

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O6/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(25(17)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1
C25H28O6424.4862221900
28425514

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H28O6/c1-15(2)8-9-27-20-6-4-16(10-22(20)26-3)24-18-12-29-25(19(18)13-28-24)17-5-7-21-23(11-17)31-14-30-21/h4-8,10-11,18-19,24-25H,9,12-14H2,1-3H3/t18-,19-,24+,25+/m0/s1
C25H28O6424.4862211600
1110496
InChI=1/C25H28O6/c1-15-20(30-14-16-12-21(27-2)24(29-4)22(13-16)28-3)11-10-18-17-8-6-5-7-9-19(17)25(26)31-23(15)18/h10-13H,5-9,14H2,1-4H3
C25H28O6424.4862211600
2068394

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28O6/c1-15(2)29-24(27)16(3)30-19-11-12-20-21(13-19)28-14-22(23(20)26)31-18-9-7-17(8-10-18)25(4,5)6/h7-16H,1-6H3
C25H28O6424.48622201200
65963

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1
C25H28O6424.4862192000
8630452

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-23-24(25(18)30)21(29)12-22(31-23)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,22,26-28,30H,3,6,9,12H2,1-2,4H3
C25H28O6424.4862191800
12345

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