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 7 results

Search term: KLZNSUPOTOFKTI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2529836

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H27N3O6/c1-11-8-23(9-12(2)29-11)10-17(24)22-18-13-6-15(26-3)16(27-4)7-14(13)21-19(18)20(25)28-5/h6-7,11-12,21H,8-10H2,1-5H3,(H,22,24)
C20H27N3O6405.4449141100
1484216

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27N3O6/c1-11-8-23(9-12(2)29-11)10-17(24)22-18-13-6-15(26-3)16(27-4)7-14(13)21-19(18)20(25)28-5/h6-7,11-12,21H,8-10H2,1-5H3,(H,22,24)/t11-,12-/m0/s1
C20H27N3O6405.44492100
1484212

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27N3O6/c1-11-8-23(9-12(2)29-11)10-17(24)22-18-13-6-15(26-3)16(27-4)7-14(13)21-19(18)20(25)28-5/h6-7,11-12,21H,8-10H2,1-5H3,(H,22,24)/t11-,12+
C20H27N3O6405.44492100
1484214

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27N3O6/c1-11-8-23(9-12(2)29-11)10-17(24)22-18-13-6-15(26-3)16(27-4)7-14(13)21-19(18)20(25)28-5/h6-7,11-12,21H,8-10H2,1-5H3,(H,22,24)/t11-,12-/m1/s1
C20H27N3O6405.44492100
1484215

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27N3O6/c1-11-8-23(9-12(2)29-11)10-17(24)22-18-13-6-15(26-3)16(27-4)7-14(13)21-19(18)20(25)28-5/h6-7,11-12,21H,8-10H2,1-5H3,(H,22,24)/p+1/t11-,12-/m0/s1
C20H28N3O6406.45231100
1484213

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27N3O6/c1-11-8-23(9-12(2)29-11)10-17(24)22-18-13-6-15(26-3)16(27-4)7-14(13)21-19(18)20(25)28-5/h6-7,11-12,21H,8-10H2,1-5H3,(H,22,24)/p+1/t11-,12-/m1/s1
C20H28N3O6406.45231100
1484211

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27N3O6/c1-11-8-23(9-12(2)29-11)10-17(24)22-18-13-6-15(26-3)16(27-4)7-14(13)21-19(18)20(25)28-5/h6-7,11-12,21H,8-10H2,1-5H3,(H,22,24)/p+1/t11-,12+
C20H28N3O6406.45231100

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