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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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Single/Multi-component
Isotopically Labeled
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Found 325 results

Search term: C18H28O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
522529
InChI=1/C18H28O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h4-5,14H,6-13H2,1-3H3
C18H28O5324.4119473200
14796137

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H28O5/c1-21-17(20)9-5-3-2-4-8-14-12-15(13-16(14)19)23-18-10-6-7-11-22-18/h12,15,18H,2-11,13H2,1H3
C18H28O5324.4119372500
4945132

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1
C18H28O5324.4119363040
18513303

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H28O5/c1-21-17(20)9-5-3-2-4-8-14-12-15(13-16(14)19)23-18-10-6-7-11-22-18/h12,15,18H,2-11,13H2,1H3/t15-,18?/m0/s1
C18H28O5324.4119321600
2287638

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H28O5/c1-3-5-6-9-12-21-13-15(19)14-23-17-11-8-7-10-16(17)18(20)22-4-2/h7-8,10-11,15,19H,3-6,9,12-14H2,1-2H3
C18H28O5324.41192131300
269029

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H28O5/c1-5-7-16-8-9-17(18(14-16)19-4)23-15(3)22-13-12-21-11-10-20-6-2/h5,8-9,14-15H,1,6-7,10-13H2,2-4H3
C18H28O5324.41197600
283717
InChI=1/C18H28O5/c1-4-5-6-7-8-9-10-11-12-13-14(19)16(21)18(23-3)17(22-2)15(13)20/h19H,4-12H2,1-3H3
C18H28O5324.41197500
341084

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H28O5/c1-5-6-11-20-15(19)21-14-8-9-17(4)12-13-7-10-18(17,23-22-13)16(14,2)3/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3
C18H28O5324.41197700
4943077

Double-bond stereo
InChI=1/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)/b7-5-,12-9+,17-15-
C18H28O5324.41197700
40992
InChI=1/C18H28O5/c1-4-5-11-20-12-13-21-14-15-22-17(19)18(2,3)23-16-9-7-6-8-10-16/h6-10H,4-5,11-15H2,1-3H3
C18H28O5324.41196700
4439644
InChI=1/C18H28O5/c1-2-3-4-5-6-7-8-9-10-11-23-18(22)14-12-15(19)17(21)16(20)13-14/h12-13,19-21H,2-11H2,1H3
C18H28O5324.411926500
8601845

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H28O5/c1-4-5-6-7-8-9-10-11-13-18(21-3)14-12-16(22-23-18)15-17(19)20-2/h6-9,12,14,16H,4-5,10-11,13,15H2,1-3H3/b7-6+,9-8+/t16-,18+/m0/s1
C18H28O5324.41196500
4947683

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C18H28O5/c1-10-8-11(2)15-13(9-10)17(22)16(21)12(3)18(15,23)7-5-4-6-14(19)20/h4-7,10-13,15-17,21-23H,8-9H2,1-3H3,(H,19,20)/b6-4+,7-5+
C18H28O5324.41196500
8886454

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H28O5/c1-9-12(6)18(20)13(7)14(21-8)15(22-10(2)3)16(17(18)19)23-11(4)5/h9-11,20H,1-8H3/b12-9+
C18H28O5324.41195500
8981226

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H28O5/c1-9-12(6)18(20)13(7)15(21-8)14(19)16(22-10(2)3)17(18)23-11(4)5/h9-11,20H,1-8H3/b12-9+
C18H28O5324.41195500
4533671

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H28O5/c1-13(7-6-8-14(2)11-19)9-18(23-17(5)21)10-15(3)12-22-16(4)20/h8-9,18-19H,3,6-7,10-12H2,1-2,4-5H3/b13-9+,14-8+
C18H28O5324.41195500
335033
InChI=1/C18H28O5/c19-11-12-22-13-14-23-17-9-6-8-16(15-17)7-4-2-1-3-5-10-18(20)21/h6,8-9,15,19H,1-5,7,10-14H2,(H,20,21)
C18H28O5324.41195400
8080966

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C18H28O5/c1-11-5-6-12-3-2-4-16(21)18(12)15(11)8-7-13(19)9-14(20)10-17(22)23/h3,5-6,11,13-16,18-21H,2,4,7-10H2,1H3,(H,22,23)/t11-,13+,14+,15-,16-,18-/m0/s1
C18H28O5324.41194300
8124780

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O5/c1-10(2)9-12-14-6-5-11(3)13-7-8-17(4)21-16(20-15(12)19)18(13,14)23-22-17/h10-14,16H,5-9H2,1-4H3/t11-,12-,13+,14+,16-,17-,18-/m1/s1
C18H28O5324.41194300
8557054

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O5/c1-4-5-6-12-14-8-7-11(2)13-9-10-17(3)21-16(20-15(12)19)18(13,14)23-22-17/h11-14,16H,4-10H2,1-3H3/t11-,12-,13+,14+,16-,17-,18-/m1/s1
C18H28O5324.41194300
12345

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