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 5 results

Search term: ZRWCNVLXUWKXER (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4407358

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H18BrN3O3/c17-11-3-5-12(6-4-11)20-14(21)8-13(16(20)23)19-7-1-2-10(9-19)15(18)22/h3-6,10,13H,1-2,7-9H2,(H2,18,22)
C16H18BrN3O3380.23642221500
5466395

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18BrN3O3/c17-11-3-5-12(6-4-11)20-14(21)8-13(16(20)23)19-7-1-2-10(9-19)15(18)22/h3-6,10,13H,1-2,7-9H2,(H2,18,22)/t10-,13-/m0/s1
C16H18BrN3O3380.23642100
5466397

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18BrN3O3/c17-11-3-5-12(6-4-11)20-14(21)8-13(16(20)23)19-7-1-2-10(9-19)15(18)22/h3-6,10,13H,1-2,7-9H2,(H2,18,22)/t10-,13+/m0/s1
C16H18BrN3O3380.23642100
5466396

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18BrN3O3/c17-11-3-5-12(6-4-11)20-14(21)8-13(16(20)23)19-7-1-2-10(9-19)15(18)22/h3-6,10,13H,1-2,7-9H2,(H2,18,22)/p+1/t10-,13+/m0/s1
C16H19BrN3O3381.24381100
5466394

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18BrN3O3/c17-11-3-5-12(6-4-11)20-14(21)8-13(16(20)23)19-7-1-2-10(9-19)15(18)22/h3-6,10,13H,1-2,7-9H2,(H2,18,22)/p+1/t10-,13-/m0/s1
C16H19BrN3O3381.24381100

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