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: PPEKGEBBBBNZKS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19975931

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
C10H17N7O5315.2859212400
98645390

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1/i11+1,12+1,13+1,14+1,15+1,16+1,17+1
C10H1715N7O5322.23972200
10473182

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/p+2/t4-,5-,10-/m0/s1
C10H19N7O5317.30072200
94564

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/b12-7-/t4-,5-,10-/m0/s1
C10H17N7O5315.28592200
3463434

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/b12-7-
C10H17N7O5315.285882100
9704537

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/b12-7-/t4-,5-,10?/m0/s1
C10H17N7O5315.28592100
10290362

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/p+2/t4-,5-,10?/m0/s1
C10H19N7O5317.30071140

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