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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 535 results

Search term: C21H26O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4476682

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3
C21H26O6374.42754550115
10270348

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3/t13-,20-/m0/s1
C21H26O6374.4275393500
21615447

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3
C21H26O6374.4275303200
8492740

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18-,19+,20-,21+/m1/s1
C21H26O6374.4275282400
9232997

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)18(23)19(17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18+,19-,20+,21+/m1/s1
C21H26O6374.4275221600
9232998

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H26O6/c1-24-21-18(23)20(26-14-16-10-6-3-7-11-16)19(17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18+,19-,20-,21+/m1/s1
C21H26O6374.4275211600
1383757
InChI=1/C21H26O6/c1-6-25-19(23)10-9-16-13(2)15-8-7-14(11-17(15)27-20(16)24)26-12-18(22)21(3,4)5/h7-8,11H,6,9-10,12H2,1-5H3
C21H26O6374.4275211000
44208897

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H26O6/c1-23-21-20(22)27-19(15-26-21)18(25-13-17-10-6-3-7-11-17)14-24-12-16-8-4-2-5-9-16/h2-11,18-22H,12-15H2,1H3/t18-,19-,20?,21-/m1/s1
C21H26O6374.4275181800
1009227
InChI=1/C21H26O6/c1-5-23-16-11-9-10-12-17(16)27-21(22)15-13-18(24-6-2)20(26-8-4)19(14-15)25-7-3/h9-14H,5-8H2,1-4H3
C21H26O6374.4275171300
1617273
InChI=1/C21H26O6/c1-6-25-17(22)8-7-13-12(2)18-16(24-5)11-15-14(19(18)26-20(13)23)9-10-21(3,4)27-15/h11H,6-10H2,1-5H3
C21H26O6374.4275171000
4470317

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H26O6/c1-4-26-19(23)17-15(12-11-14-9-7-6-8-10-14)18(20(24)27-5-2)21(3,25)13-16(17)22/h6-12,15,17-18,25H,4-5,13H2,1-3H3/b12-11+
C21H26O6374.42754171500
21166683

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H26O6/c1-18-6-5-12(23)7-11(18)3-4-13-14-8-15(24)20(26,16(25)10-22)19(14,2)9-17-21(13,18)27-17/h5-7,13-15,17,22,24,26H,3-4,8-10H2,1-2H3/t13-,14-,15+,17-,18-,19-,20-,21+/m0/s1
C21H26O6374.4275171600
110820

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1
C21H26O6374.4275151200
1390168
InChI=1/C21H26O6/c1-4-5-6-7-8-14-9-16(19(24)12-17(14)22)18(23)10-15-11-20(21(25)26-3)27-13(15)2/h9,11-12,22,24H,4-8,10H2,1-3H3
C21H26O6374.4275151000
4444829

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H26O6/c1-7-24-21-9-12(4)8-15(25-19(22)11(2)3)16-14(6)20(23)26-18(16)17(27-21)13(5)10-21/h9-10,15-18H,2,6-8H2,1,3-5H3/b12-9-/t15-,16+,17-,18-,21-/m0/s1
C21H26O6374.42754141400
2173352
InChI=1/C21H26O6/c1-16(2)27-20-7-5-4-6-18(20)25-12-10-24-11-13-26-19-9-8-17(15-22)14-21(19)23-3/h4-9,14-16H,10-13H2,1-3H3
C21H26O6374.4275414900
48063834

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H26O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-14,16,18,22,25,27H,3-4,8-10H2,1-2H3/t13-,14-,16+,18+,19-,20-,21-/m0/s1
C21H26O6374.4275141400
4944598

Double-bond stereo
InChI=1/C21H26O6/c1-6-15(3)20(22)27-14-17(7-2)21(23)26-12-8-9-16-10-11-18(24-4)19(13-16)25-5/h6-11,13H,12,14H2,1-5H3/b9-8+,15-6+,17-7-
C21H26O6374.4275131000
8627456

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O6/c1-19-11-15(13-7-10-26-12-13)27-17(22)14(19)6-9-20(2)16(19)5-4-8-21(20,24)18(23)25-3/h4,7-8,10,12,14-16,24H,5-6,9,11H2,1-3H3/t14-,15+,16-,19+,20-,21+/m1/s1
C21H26O6374.4275111000
3829652

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3
C21H26O6374.4275111000
12345

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