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
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Found 5 results

Search term: XXFPAPPEFJYBHA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2300843

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H27NO/c1-3-21(4-2)10-11-22-20(14-8-6-5-7-9-14)18-15-12-16-17(13-15)19(16)18/h5-9,15-17,19H,3-4,10-13H2,1-2H3/b20-18+
C20H27NO297.434488800
8238772

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H27NO/c1-3-21(4-2)10-11-22-20(14-8-6-5-7-9-14)18-15-12-16-17(13-15)19(16)18/h5-9,15-17,19H,3-4,10-13H2,1-2H3/b20-18-
C20H27NO297.43453200
34993329

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H27NO/c1-3-21(4-2)10-11-22-20(14-8-6-5-7-9-14)18-15-12-16-17(13-15)19(16)18/h5-9,15-17,19H,3-4,10-13H2,1-2H3/b20-18+/t15?,16-,17-,19?/m1/s1
C20H27NO297.43451100
34993330

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H27NO/c1-3-21(4-2)10-11-22-20(14-8-6-5-7-9-14)18-15-12-16-17(13-15)19(16)18/h5-9,15-17,19H,3-4,10-13H2,1-2H3/b20-18+/t15?,16-,17-,19?/m0/s1
C20H27NO297.43451100
34993331

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H27NO/c1-3-21(4-2)10-11-22-20(14-8-6-5-7-9-14)18-15-12-16-17(13-15)19(16)18/h5-9,15-17,19H,3-4,10-13H2,1-2H3/b20-18+/t15?,16-,17+,19?
C20H27NO297.43451100

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