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
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Found 10 results

Search term: ATKYNAZQGVYHIB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58249

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2
C16H21NO3275.3428202100
19989115

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14+,15?
C16H21NO3275.3428141400
58244

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12?,13?,14?,15-/m1/s1
C16H21NO3275.3428109219
19969302

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14+,15-/m1/s1
C16H21NO3275.34283700
8146216

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13-,15?/m0/s1
C16H21NO3275.34282100
8906433

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14?,15-/m0/s1
C16H21NO3275.34282100
34994017

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14-,15-/m0/s1
C16H21NO3275.34281100
110805282

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13-,15+/m0/s1
C16H21NO3275.34281100
114936773

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14?,15?
C16H21NO3275.34281100
114937443

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14?,15-/m1/s1
C16H21NO3275.34281100

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