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 10 results

Search term: YSGASDXSLKIKOD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
54551

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)
C17H20N2O268.35355213100
664927

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/t17-/m0/s1
C17H20N2O268.35356400
580905

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/t17-/m1/s1
C17H20N2O268.35354200
5294214

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/p+1/t17-/m1/s1
C17H21N2O269.361442100
8667612

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/i16+1
C1613CH20N2O269.34622100
8787479

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/i1+1,17+1
C1513C2H20N2O270.33882100
8787720

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/i3+1,6+1,7+1,10+1,11+1,15+1
C1113C6H20N2O274.30942100
8811288

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/i10T,11T
C17H18T2N2O272.36972100
8929843

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/i17+2
C1614CH20N2O270.3462100
5312666

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)/p+1/t17-/m0/s1
C17H21N2O269.361441100

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