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
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Found 6 results

Search term: LWXKAVPXEDNHLL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4580699

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14+,15-,16-/m1/s1
C16H29NO2267.4071515317
4518084

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+
C16H29NO2267.4078900
75336410

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10-
C16H29NO2267.4072200
137387

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/t12-,14+,15-,16-/m1/s1
C16H29NO2267.4072100
435001

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3
C16H29NO2267.4072100
10310887

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14?,15+,16+/m0/s1
C16H29NO2267.4071100

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