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: WUUGFSXJNOTRMR (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
388321

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
C11H15N5O3S297.333510818330
399558

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7+,8-,11-/m1/s1
C11H15N5O3S297.33356600
73962412

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1/i1D3
C11H12D3N5O3S300.3526600
74854263

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5?,7-,8?,11?/m1/s1
C11H15N5O3S297.33356600
599586

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8+,11+/m0/s1
C11H15N5O3S297.33355400
89712

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8+,11-/m1/s1
C11H15N5O3S297.33355200
24652036

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11?/m1/s1
C11H15N5O3S297.33353300
35518715

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7+,8?,11-/m1/s1
C11H15N5O3S297.33352300
21230584

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8+,11+/m1/s1
C11H15N5O3S297.33352100
98645547

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1/i1+1,2+1,5+1,7+1,8+1,11+1
C513C6H15N5O3S303.28942200
107433295

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m0/s1/i1D3
C11H12D3N5O3S300.3522400
107450124

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1/i12+1,13+1,14+1,15+1,16+1
C11H1515N5O3S302.30052200
107450508

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1/i1+1
C1013CH15N5O3S298.32622500
114394203

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7+,8?,11-/m1/s1/i4+2
C1014CH15N5O3S299.3261100
114642084

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11+/m1/s1
C11H15N5O3S297.33351100
128934812

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11+/m1/s1/i1D3
C11H12D3N5O3S300.3521100
78472886

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m0/s1
C11H15N5O3S297.33351100
29789409

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7?,8?,11-/m1/s1
C11H15N5O3S297.33351100
12

Advertisement