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 6 results

Search term: XPUAMUNNJROASA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2135075

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H18BrN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22)
C16H18BrN3O3380.23642251500
930135

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H18BrN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22)/t13-/m1/s1
C16H18BrN3O3380.23642100
930136

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H18BrN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22)/t13-/m0/s1
C16H18BrN3O3380.23642100
3275517

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H18BrN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22)/p+1
C16H19BrN3O3381.24381100
5336780

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H18BrN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22)/p+1/t13-/m1/s1
C16H19BrN3O3381.24381100
5336781

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H18BrN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22)/p+1/t13-/m0/s1
C16H19BrN3O3381.24381100

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