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 12 results

Search term: WGCXTGBZBFBQPP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4572186

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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,20+/m0/s1
C21H34O5366.4917201700
4939086

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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13+/t16-,17+,18+,20+/m0/s1
C21H34O5366.49176500
8537007

Double-bond stereo

3 of 4 defined stereocentres - 3/4 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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18?,20+/m0/s1
C21H34O5366.49174300
4446213

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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17-,18-,20-/m1/s1
C21H34O5366.491663400
4575303

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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17?,18?,20+/m0/s1/i2-1
C2011CH34O5365.49242200
9286469

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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17-,18+,20+/m1/s1
C21H34O5366.49172100
62665629

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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,20-/m0/s1
C21H34O5366.49172200
68057746

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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13u/t16-,17+,18+,20+/m0/s1
C21H34O5366.49171100
114814891

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/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13u/t16-,17-,18+,20+/m0/s1
C21H34O5366.49171100

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