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 13 results

Search term: PNVNVHUZROJLTJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5454


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
C17H27NO2277.40181331451228510
10021220

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m1/s1
C17H27NO2277.4018323200
7971389

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m0/s1
C17H27NO2277.4018293400
23937370

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i4D2,5D2,6D2
C17H21D6NO2283.4388111200
29738763

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i1D3,2D3
C17H21D6NO2283.438881000
64854565

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i1D3,2D3,3D3
C17H18D9NO2286.45725600
31104129

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i1T3,2T3,3T3
C17H18T9NO2295.47482200
397336

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i3-1
C1611CH27NO2276.40252200
17276197

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D,8D,9D,10D,11D2,12D2,13D2,16D
C17HD26NO2303.5621100
21258721

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/p+1
C17H28NO2278.40921100
103868685

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i1D2,2D3,3D3
C17H19D8NO2285.45111100
111259570

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i19D
C17H26DNO2278.40791100

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