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 7 results

Search term: HDIFHQMREAYYJW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4938441

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9-/t19-,20?/m1/s1
C21H40O5372.5393242900
4752145

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9+
C21H40O5372.5393221900
4478087

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9-
C21H40O5372.5393121300
91825

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3
C21H40O5372.53935502
21428105

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9-/t19-,20-/m1/s1
C21H40O5372.53933100
34995864

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9-/t19-,20+/m1/s1
C21H40O5372.53931100

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