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: DMJNNHOOLUXYBV (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
389924

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
C17H25N3O5S383.462511410125546
3099076

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)
C17H25N3O5S383.462523130500
58783842

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1/i3D3,4D3
C17H19D6N3O5S389.4995121400
7975956

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8+,9+,10+,11-,12-/m1/s1
C17H25N3O5S383.462510700
35294439

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11?,12?/m1/s1
C17H25N3O5S383.4625101000
21112451

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8+,9-,10-,11-,12-/m0/s1
C17H25N3O5S383.46259300
62445762

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12+/m1/s1
C17H25N3O5S383.46256500
23270041

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9?,10+,11-,12-/m1/s1
C17H25N3O5S383.46254400
58782991

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7?,8-,9+,10+,11-,12-/m1/s1
C17H25N3O5S383.46254500
5036731

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8+,9-,10-,11+,12-/m1/s1
C17H25N3O5S383.46253200
8493271

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10?,11?,12?/m1/s1
C17H25N3O5S383.46252100
58145951

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11+,12-/m1/s1
C17H25N3O5S383.46252200
62576654

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8+,9+,10+,11-,12-/m0/s1
C17H25N3O5S383.46252200
62445753

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8+,9+,10+,11-,12+/m0/s1
C17H25N3O5S383.46252200
110417892

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11?,12-/m1/s1/i3D3,4D3
C17H19D6N3O5S389.49951100
113608230

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9-,10+,11+,12+/m1/s1
C17H25N3O5S383.46251100
113612401

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m0/s1
C17H25N3O5S383.46251100
114390081

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8+,9+,10-,11+,12-/m0/s1
C17H25N3O5S383.46251100
114391516

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9-,10+,11-,12+/m1/s1
C17H25N3O5S383.46251100
114781963

0 of 6 defined stereocentres - 0/6 defined

Non-standard isotope
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/i3D3,4D3
C17H19D6N3O5S389.49951100
12

Advertisement