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 12 results

Search term: GJGGLGFZQPLXPH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2406448

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)
C21H19NO4349.379911700
20214139

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/t15?,16?,19-/m1/s1
C21H19NO4349.37996300
925489

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/t15-,16+,19+/m0/s1
C21H19NO4349.37992100
5570175

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/t15-,16-,19-/m0/s1
C21H19NO4349.37992100
5570169

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/t15-,16-,19+/m1/s1
C21H19NO4349.37992100
5570171

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/t15-,16+,19-/m0/s1
C21H19NO4349.37992100
5570173

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/t15-,16+,19+/m1/s1
C21H19NO4349.37992100
5570174

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/p-1/t15-,16-,19-/m0/s1
C21H18NO4348.37251100
5570172

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/p-1/t15-,16+,19+/m1/s1
C21H18NO4348.37251100
5570170

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/p-1/t15-,16+,19-/m0/s1
C21H18NO4348.37251100
5570168

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/p-1/t15-,16-,19+/m1/s1
C21H18NO4348.37251100
10035451

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/p-1/t15-,16+,19+/m0/s1
C21H18NO4348.37251100

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