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 15 results

Search term: QHMBSVQNZZTUGM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
559095


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
C21H30O2314.4617659200
454786

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3
C21H30O2314.46173053200
24547

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18?/m0/s1
C21H30O2314.46172111000
22913895

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m1/s1
C21H30O2314.4617161500
32741696

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1/i1D3,5D2,6D2,7D2
C21H21D9O2323.51727800
23014369

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18-/m0/s1
C21H30O2314.46176500
31045704

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18-/m1/s1
C21H30O2314.46174300
8142233

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18?/m1/s1
C21H30O2314.46174200
28942597

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17?,18-/m1/s1
C21H30O2314.46173300
49073360

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1/i1D3
C21H27D3O2317.48023800
107447704

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m1/s1/i1D3,5D2,6D2,7D2
C21H21D9O2323.51721100
107449692

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1/i1D3,4D3,5D2,6D2,7D2
C21H18D12O2326.53561100
107449694

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1/i1D3,4D3,5D2,6D2,7D2,8D2
C21H16D14O2328.5481100
114392733

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18?/m0/s1/i1D3
C21H27D3O2317.48021100
23297881

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17u,18-/m1/s1
C21H30O2314.461100

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