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 30 results

Search term: QIQNNBXHAYSQRY (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
94674

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
C10H17NO3199.24693523100
220696

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3
C10H17NO3199.2469232900
391939

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6?,7?,8-,9+/m0/s1
C10H17NO3199.2469152122821
8735430

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1/i1D3
C10H14D3NO3202.265481100
220697

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7-,8+,9?/m1/s1
C10H17NO3199.24695400
221821

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6?,7?,8-,9-/m1/s1
C10H17NO3199.24695400
30651996

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9-/m0/s1
C10H17NO3199.24695400
9053416

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9-/m1/s1
C10H17NO3199.24694300
208872

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
C10H17NO3199.24693300
8807314

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1/i2D3
C10H14D3NO3202.26543400
8595731

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8+,9-/m1/s1
C10H17NO3199.24693200
5290569

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7-,8-,9+/m0/s1
C10H17NO3199.246882200
8118026

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8?,9-/m1/s1
C10H17NO3199.24692100
10541281

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m1/s1
C10H17NO3199.24692200
26331751

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/p+1/t6-,7+,8-,9+/m0/s1
C10H18NO3200.25432200
26576424

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8+,9?/m1/s1
C10H17NO3199.24692300
61404002

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8+,9+/m0/s1
C10H17NO3199.24692100
61432395

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7-,8+,9+/m1/s1
C10H17NO3199.24692200
61651505

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8?,9-/m0/s1
C10H17NO3199.24692200
110616430

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6?,7?,8-,9?/m0/s1
C10H17NO3199.24691100
12

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