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 5 results

Search term: WGGXZJFAPUZXLC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4944185

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C26H42O3/c1-18(7-5-15-25(2,3)29)22-12-13-23-19(8-6-16-26(22,23)4)9-10-20-17-21(27)11-14-24(20)28/h9-10,18,21-23,27,29H,5-8,11-17H2,1-4H3/b19-9+,20-10+/t18-,21-,22-,23+,26-/m1/s1
C26H42O3402.60993300
8128579

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C26H42O3/c1-18(7-5-15-25(2,3)29)22-12-13-23-19(8-6-16-26(22,23)4)9-10-20-17-21(27)11-14-24(20)28/h9-10,18,21-23,27,29H,5-8,11-17H2,1-4H3/b19-9-,20-10+/t18?,21-,22?,23?,26?/m0/s1
C26H42O3402.60992100
4943459

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C26H42O3/c1-18(7-5-15-25(2,3)29)22-12-13-23-19(8-6-16-26(22,23)4)9-10-20-17-21(27)11-14-24(20)28/h9-10,18,21-23,27,29H,5-8,11-17H2,1-4H3/b19-9+,20-10+/t18-,21-,22+,23+,26-/m1/s1
C26H42O3402.60992200
20144200

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C26H42O3/c1-18(7-5-15-25(2,3)29)22-12-13-23-19(8-6-16-26(22,23)4)9-10-20-17-21(27)11-14-24(20)28/h9-10,18,21-23,27,29H,5-8,11-17H2,1-4H3/b19-9+,20-10-/t18-,21+,22-,23+,26-/m1/s1
C26H42O3402.60991100
57496841

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C26H42O3/c1-18(7-5-15-25(2,3)29)22-12-13-23-19(8-6-16-26(22,23)4)9-10-20-17-21(27)11-14-24(20)28/h9-10,18,21-23,27,29H,5-8,11-17H2,1-4H3/b19-9+,20-10-/t18-,21+,22-,23?,26-/m1/s1
C26H42O3402.60991100

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