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: WNBMQMMGBBWUOZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4942352

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19-/m0/s1
C21H34O5366.4917161200
4903368

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13+
C21H34O5366.49178500
21467655

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16?,17?,18-,19?/m1/s1
C21H34O5366.49175300
3471806

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3
C21H34O5366.491663200
4575301

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17?,18?,19-/m0/s1/i2-1
C2011CH34O5365.49242200
107562544

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13u/t16-,17+,18+,19-/m0/s1
C21H34O5366.49172100
57372989

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13+/t16-,17+,18+,19-/m0/s1
C21H34O5366.49171100

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