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: CACLDHHVRLSJEY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7845491

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H27NO2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21-23)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22-23H,4-11H2,2H3/b21-14+/t15-,16+,17+,18-,19-,20-/m0/s1
C20H27NO2313.4339101000
8194051

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C20H27NO2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21-23)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22-23H,4-11H2,2H3/b21-14-/t15?,16?,17?,18?,19-,20-/m0/s1
C20H27NO2313.43392100
62972018

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H27NO2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21-23)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22-23H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
C20H27NO2313.43392100
98606420

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H27NO2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21-23)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22-23H,4-11H2,2H3/b21-14+/t15-,16+,17?,18-,19-,20-/m0/s1
C20H27NO2313.43391100
114390316

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C20H27NO2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21-23)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22-23H,4-11H2,2H3/b21-14+/t15-,16+,17?,18-,19-,20-/m0/s1/i4D2,5D2,11D2,12D,15D
C20H19D8NO2321.48321100
58816860

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H27NO2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21-23)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22-23H,4-11H2,2H3/b21-14+/t15-,16+,17+,18-,19?,20-/m0/s1
C20H27NO2313.43391100

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