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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
Additional Filters

Found 29 results

Search term: JVBLTQQBEQQLEV (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390330

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1
C25H41NO7467.5955272200
22875325

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1
C25H41NO7467.5955121000
28941587

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1
C25H41NO7467.59556600
31107491

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25+/m1/s1
C25H41NO7467.59553200
4475540

4 of 13 defined stereocentres - 4/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13?,14?,15-,16-,17?,18?,19?,20?,21?,22-,23+,24?,25?/m0/s1
C25H41NO7467.59552200
8180370

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18+,19?,20-,21?,22+,23-,24+,25+/m1/s1
C25H41NO7467.59552100
10145955

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17+,18-,19-,20+,21+,22+,23-,24+,25-/m1/s1
C25H41NO7467.59551100
17467233

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14+,15-,16-,17+,18-,19+,20-,21-,22-,23+,24-,25?/m0/s1
C25H41NO7467.59551100
21470730

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17?,18+,19?,20+,21?,22+,23-,24+,25-/m1/s1
C25H41NO7467.59551100
24958598

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15-,16+,17?,18+,19?,20?,21+,22+,23-,24+,25?/m1/s1
C25H41NO7467.59551100
3318833

Charge

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/p+1
C25H42NO7468.60291100
59719189

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17-,18+,19-,20+,21-,22+,23-,24+,25-/m1/s1
C25H41NO7467.59551100
82827612

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24-,25-/m1/s1
C25H41NO7467.59551100
101936470

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1
C25H41NO7467.59551200
113611523

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+,25-/m1/s1
C25H41NO7467.59551100
114392088

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18-,19-,20-,21-,22-,23+,24+,25+/m1/s1
C25H41NO7467.59551100
114544928

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m0/s1
C25H41NO7467.59551100
114724731

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17-,18+,19?,20+,21-,22+,23-,24+,25?/m1/s1
C25H41NO7467.59551100
114813848

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14+,15+,16+,17+,18-,19+,20+,21?,22+,23-,24+,25-/m1/s1
C25H41NO7467.59551100
30809966

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13?,14-,15+,16+,17+,18-,19-,20+,21+,22+,23-,24+,25?/m1/s1
C25H41NO7467.59551100
12

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