Matches any text strings used to describe a molecule.
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 11 results

Search term: XMIXAXLPZCFFCG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
170380

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15?,16+,17-,18-,19+,20+,21+,22+,24+,25-/m1/s1
C25H42O4406.59868600
433796

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)
C25H42O4406.59865300
58988410

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16+,17-,18-,19+,20+,21+,22+,24+,25-/m1/s1
C25H42O4406.59864400
334244

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14?,15?,16-,17?,18+,19?,20?,21-,22-,24-,25+/m0/s1
C25H42O4406.59863200
24641957

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16+,17-,18-,19+,20+,21-,22+,24+,25-/m1/s1
C25H42O4406.59863300
23288751

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16?,17-,18-,19+,20+,21-,22+,24+,25-/m1/s1
C25H42O4406.59862200
23288755

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15-,16?,17-,18-,19+,20+,21-,22+,24+,25-/m1/s1
C25H42O4406.59862200
30794336

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15-,16+,17-,18-,19+,20+,21-,22+,24+,25-/m1/s1
C25H42O4406.59861100
30812603

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15?,16+,17-,18-,19?,20?,21+,22+,24+,25-/m1/s1
C25H42O4406.59861100
58843247

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15?,16-,17-,18+,19+,20+,21-,22-,24-,25+/m0/s1
C25H42O4406.59861100
129163214

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16+,17-,18?,19+,20+,21+,22+,24+,25-/m1/s1
C25H42O4406.59861100

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