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 27 results

Search term: YBJHBAHKTGYVGT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
149962


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
C10H16N2O3S244.3106177896300453108
248

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
C10H16N2O3S244.310677525400
4474762

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m1/s1
C10H16N2O3S244.3106324200
4925493

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6?,7-,9?/m0/s1
C10H16N2O3S244.3106195700
28637999

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1/i5D2
C10H14D2N2O3S246.323131200
553600

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m0/s1
C10H16N2O3S244.3106121500
4894111

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m1/s1
C10H16N2O3S244.31069500
5036918

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9+/m1/s1
C10H16N2O3S244.31069700
9359221

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7?,9-/m0/s1
C10H16N2O3S244.31068400
48058837

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1/i1D2,2D2
C10H12D4N2O3S248.335371100
5408838

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9+/m0/s1
C10H16N2O3S244.31066500
5036490

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9+/m1/s1
C10H16N2O3S244.31066800
5028036

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-/m0/s1
C10H15N2O3S243.30325400
8619978

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1/i11+1
C10H16N15NO3S245.3042200
113059890

1 of 3 defined stereocentres - 1/3 defined

Non-standard isotope
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6?,7-,9?/m0/s1/i1D2,2D2
C10H12D4N2O3S248.33532200
114810851

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1/i4D2
C10H14D2N2O3S246.3232200
114394251

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1/i10+2
C914CH16N2O3S246.30321100
34978173

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9?/m0/s1
C10H16N2O3S244.31061100
34978174

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9?/m0/s1/i5D2
C10H14D2N2O3S246.3231100
12

Advertisement