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: WODABQYEPQRZOS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19986720

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4-,5-,6-/m1/s1
C8H13N4O8P324.1846131100
318733

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)
C8H13N4O8P324.18466300
436177

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4-,5-,6-/m0/s1
C8H13N4O8P324.18462200
29787304

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4?,5?,6-/m1/s1
C8H13N4O8P324.18462300
58782060

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4+,5?,6-/m1/s1
C8H13N4O8P324.18462200
107441801

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4-,5-,6-/m1/s1/i9+1,10+1,11+1,12+1
C8H1315N4O8P328.15821100
58781862

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4+,5?,6-/m1/s1/i9+1,10+1,11+1,12+1
C8H1315N4O8P328.15821100

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