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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 902 results

Search term: C20H30O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4477067


Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
C20H30O5350.44929016300
4444303

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
C20H30O5350.4492364000
4444439

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
C20H30O5350.4492333610
5422557

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16+,17-,19+,20+/m1/s1
C20H30O5350.4492302800
21170687

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15?,16+,17-,19+,20+/m1/s1
C20H30O5350.4492281800
4445434

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1
C20H30O5350.4492283200
8648499

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1
C20H30O5350.4492252600
33823750

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O5/c1-12-4-5-15-19(2,8-6-16(23)20(15,3)11-21)17(12)14(22)10-13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16-,17+,19-,20+/m1/s1
C20H30O5350.4492211800
33823530

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O5/c1-12-4-5-16-19(2,8-6-17(23)20(16,3)11-21)14(12)10-15(22)13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16+,17-,19+,20+/m1/s1
C20H30O5350.4492201600
17216193

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19+/m0/s1
C20H30O5350.4492191800
1670143
InChI=1/C20H30O5/c1-6-23-18(21)17(19(22)24-7-2)9-8-14-25-16-12-10-15(11-13-16)20(3,4)5/h10-13,17H,6-9,14H2,1-5H3
C20H30O5350.4492171000
4407671

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H30O5/c1-3-4-5-6-7-8-9-19-23-14-18(15-24-19)25-20(21)16-10-12-17(22-2)13-11-16/h10-13,18-19H,3-9,14-15H2,1-2H3
C20H30O5350.4492161000
17220781

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11-18,21-22H,3,5-10H2,1H3,(H,24,25)/b4-2-,13-11+/t15-,16+,17+,18-/m1/s1
C20H30O5350.4492161800
24696290

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C20H30O5/c1-10-11-4-5-12-19(9-21)13(18(2,3)7-6-14(19)22)8-15(23)20(12,16(10)24)17(11)25/h11-15,17,21-23,25H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+,17+,19-,20-/m0/s1
C20H30O5350.4492161500
16735664

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15?,16+,17-,19+,20?/m1/s1
C20H30O5350.4492161625530
48061456

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C20H30O5/c1-9-6-12-13(19(12,4)5)7-14(21)11(3)17(23)15-16(22)10(2)8-20(15,25)18(9)24/h6,10,12-17,21-23,25H,3,7-8H2,1-2,4-5H3/b9-6-/t10-,12+,13-,14+,15+,16-,17-,20+/m0/s1
C20H30O5350.4492162000
4508357

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-
C20H30O5350.44921511000
1665702
InChI=1/C20H30O5/c1-6-23-18(21)15(19(22)24-7-2)11-10-14-25-17-13-9-8-12-16(17)20(3,4)5/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3
C20H30O5350.449215900
2196583

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H30O5/c1-5-15(4)16-10-12-17(13-11-16)25-14-8-9-18(19(21)23-6-2)20(22)24-7-3/h10-13,15,18H,5-9,14H2,1-4H3
C20H30O5350.4492151200
4446164

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,21H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+/m0/s1
C20H30O5350.4492151700
12345

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