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 9 results

Search term: PUYXTUJWRLOUCW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77719

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
C18H35NO2297.4768712700
77499681

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3/i10D2,11D2
C18H31D4NO2301.50065900
107451505

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3/i2D3,7D2
C18H30D5NO2302.50682300
34992890

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3/t15-,16-,18+/m0/s1
C18H35NO2297.4762200
34992887

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3/t15-,16-,18-/m1/s1
C18H35NO2297.4761100
34992888

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3/t15-,16-,18-/m0/s1
C18H35NO2297.4761100
34992889

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3/t15-,16-,18+/m1/s1
C18H35NO2297.4761100

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