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 10 results

Search term: PPPMSBCQTLJPKM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8504883

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m1/s1
C5H12N2O3148.1604161200
8187634

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5+/m1/s1
C5H12N2O3148.160413900
8782263

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4+,5-/m1/s1
C5H12N2O3148.1604121100
8972202

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m0/s1
C5H12N2O3148.16049600
8488680

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2
C5H12N2O3148.16044300
8829732

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m1/s1/i3+1
C413CH12N2O3149.1532200
17332273

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m1/s1/i7+1
C5H12N15NO3149.15381100
61703449

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5+/m0/s1
C5H12N2O3148.16041100
74173976

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3?,4-,5-/m1/s1
C5H12N2O3148.16041100
110593934

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4+,5-/m0/s1
C5H12N2O3148.16041100

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