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 22 results

Search term: UQRORFVVSGFNRO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
46764

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
C10H21NO4219.2788811100
438653

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
C10H21NO4219.278485000
9991496

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1
C10H21NO4219.27811600
4324151

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3
C10H21NO4219.27804911200
24207826

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
C10H21NO4219.2787400
24664466

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1
C10H21NO4219.2785500
68905900

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m0/s1
C10H21NO4219.2785300
62883189

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9-,10-/m1/s1
C10H21NO4219.2783100
58781099

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7?,8?,9-,10+/m0/s1
C10H21NO4219.2782300
71116249

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7?,8?,9-,10-/m0/s1
C10H21NO4219.2782200
71116250

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7?,8?,9-,10+/m1/s1
C10H21NO4219.2782200
115010929

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1/i1D3,2D2,3D2,4D2
C10H12D9NO4228.33352200
76920233

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10+/m0/s1
C10H21NO4219.2781100
110476249

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7?,8?,9-,10-/m1/s1
C10H21NO4219.2781100
111311620

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m0/s1
C10H21NO4219.2781100
29788906

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7?,8?,9-,10?/m0/s1
C10H21NO4219.2781100
29788908

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7?,8?,9-,10?/m1/s1
C10H21NO4219.2781100
34978168

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9+,10-/m0/s1
C10H21NO4219.2781100
12

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