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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 363 results

Search term: C21H30O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5254712

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1
C21H30O6378.459343731100
4943808

Double-bond stereo
InChI=1/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)/b15-13+
C21H30O6378.4593413800
67003
InChI=1/C21H30O6/c1-4-7-12-25-19(22)16-10-11-17(20(23)26-13-8-5-2)18(15-16)21(24)27-14-9-6-3/h10-11,15H,4-9,12-14H2,1-3H3
C21H30O6378.4593384400
223204

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1
C21H30O6378.4593363900
2196855
InChI=1/C21H30O6/c1-5-8-17-15-16(4)9-10-19(17)27-14-13-24-12-11-18(20(22)25-6-2)21(23)26-7-3/h5,9-10,15,18H,1,6-8,11-14H2,2-4H3
C21H30O6378.4593161100
26052928

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H30O6/c1-21(2,3)27-20(23)15-8-6-14(7-9-15)13-26-17-11-10-16(19(22)25-5)12-18(17)24-4/h10-12,14-15H,6-9,13H2,1-5H3
C21H30O6378.4593161200
2196045
InChI=1/C21H30O6/c1-5-10-16-15-17(24-4)12-13-19(16)27-14-9-8-11-18(20(22)25-6-2)21(23)26-7-3/h5,12-13,15,18H,1,6-11,14H2,2-4H3
C21H30O6378.4593141000
19969373

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15?,16-,18+,19-,20-,21-/m0/s1
C21H30O6378.4593141200
24840620

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m0/s1
C21H30O6378.4593131400
66362
InChI=1/C21H30O6/c1-13(2)10-25-19(22)16-7-8-17(20(23)26-11-14(3)4)18(9-16)21(24)27-12-15(5)6/h7-9,13-15H,10-12H2,1-6H3
C21H30O6378.4593131500
3836058
InChI=1/C21H30O6/c1-4-5-6-7-8-9-10-11-12-13-17-20(25)19(26-15(2)22)14-18(24)21(17)27-16(3)23/h14H,4-13H2,1-3H3
C21H30O6378.459312700
8198122

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1
C21H30O6378.4593111300
9276064

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O6/c1-18-6-4-13(23)8-12(18)2-3-14-15-5-7-20(25)19(15,9-16(24)17(14)18)11-27-21(20,26)10-22/h8,14-17,22,24-26H,2-7,9-11H2,1H3/t14-,15-,16-,17+,18-,19+,20+,21+/m0/s1
C21H30O6378.4593111100
9265324

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O6/c1-19-9-16(25)18-14(15(19)5-7-21(19,27)17(26)10-22)3-2-12-8-13(24)4-6-20(12,18)11-23/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1
C21H30O6378.459310800
92146

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O6/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/h7,13-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
C21H30O6378.4593101200
115664

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O6/c22-9-18(27)16-4-3-15-14-2-1-12-7-13(25)5-6-20(12,10-23)19(14)17(26)8-21(15,16)11-24/h7,14-17,19,22-24,26H,1-6,8-11H2/t14-,15-,16+,17-,19+,20+,21+/m0/s1
C21H30O6378.459310800
222019

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3
C21H30O6378.45931015300
3140450

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H30O6/c1-13(2)16-8-6-14(3)10-19(16)27-20(22)12-26-21(23)17-9-7-15(24-4)11-18(17)25-5/h7,9,11,13-14,16,19H,6,8,10,12H2,1-5H3
C21H30O6378.45939400
4270511

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H30O6/c1-14(2)18-10-5-15(3)11-19(18)27-21(23)13-26-20(22)12-25-17-8-6-16(24-4)7-9-17/h6-9,14-15,18-19H,5,10-13H2,1-4H3
C21H30O6378.45939400
57257028

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H30O6/c1-11(2)20(23)27-19-17(12(3)8-7-9-25-15(6)22)13(4)10-16-18(19)14(5)21(24)26-16/h11-12,16,18-19H,5,7-10H2,1-4,6H3/t12?,16-,18-,19+/m1/s1
C21H30O6378.45938700
12345

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