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: ITRBVGLWLFOKTQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10047875

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H36O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h13,15,17-19,22H,3-12,14,16H2,1-2H3/b15-13+/t17-,18-,19+/m0/s1
C21H36O4352.5081131000
35312124

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H36O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h13,15,17-19,22H,3-12,14,16H2,1-2H3/t17-,18-,19+/m0/s1
C21H36O4352.50812100
3777362

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H36O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h13,15,17-19,22H,3-12,14,16H2,1-2H3
C21H36O4352.508142100
8558836

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H36O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h13,15,17-19,22H,3-12,14,16H2,1-2H3/b15-13+/t17-,18-,19?/m0/s1
C21H36O4352.50812100
113598570

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H36O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h13,15,17-19,22H,3-12,14,16H2,1-2H3/b15-13+/t17-,18-,19+/m1/s1
C21H36O4352.50811100

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