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 6 results

Search term: XZKUIIFETKOPRD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9900288

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H32O5/c1-17(21)11-6-2-3-7-12-18(22)13-8-4-5-9-14-19(23)15-10-16-20(24)25/h3-5,7-9,13-14,17-19,21-23H,2,6,10-12,15-16H2,1H3,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t17?,18-,19-/m1/s1
C20H32O5352.46514400
20147363

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H32O5/c1-17(21)11-6-2-3-7-12-18(22)13-8-4-5-9-14-19(23)15-10-16-20(24)25/h3-5,7-9,13-14,17-19,21-23H,2,6,10-12,15-16H2,1H3,(H,24,25)/b5-4+,7-3+,13-8+,14-9+
C20H32O5352.46513600
4952705

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H32O5/c1-17(21)11-6-2-3-7-12-18(22)13-8-4-5-9-14-19(23)15-10-16-20(24)25/h3-5,7-9,13-14,17-19,21-23H,2,6,10-12,15-16H2,1H3,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t17-,18-,19-/m1/s1
C20H32O5352.46513200
8039024

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H32O5/c1-17(21)11-6-2-3-7-12-18(22)13-8-4-5-9-14-19(23)15-10-16-20(24)25/h3-5,7-9,13-14,17-19,21-23H,2,6,10-12,15-16H2,1H3,(H,24,25)/b5-4+,7-3+,13-8+,14-9+/t17?,18-,19-/m1/s1
C20H32O5352.46513200
23349285

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H32O5/c1-17(21)11-6-2-3-7-12-18(22)13-8-4-5-9-14-19(23)15-10-16-20(24)25/h3-5,7-9,13-14,17-19,21-23H,2,6,10-12,15-16H2,1H3,(H,24,25)
C20H32O5352.46512100
76962980

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H32O5/c1-17(21)11-6-2-3-7-12-18(22)13-8-4-5-9-14-19(23)15-10-16-20(24)25/h3-5,7-9,13-14,17-19,21-23H,2,6,10-12,15-16H2,1H3,(H,24,25)/p-1/b5-4+,7-3-,13-8+,14-9-/t17?,18-,19-/m1/s1
C20H31O5351.45771200

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