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 4 results

Search term: YQPXDVZGMQYMBR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58205

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H29N3O2/c1-17-7-9-19(10-8-17)6-5-16(20)21-15-11-13-3-4-14(12-15)18(13)2/h13-15H,3-12H2,1-2H3
C16H29N3O2295.4204211700
787371

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H29N3O2/c1-17-7-9-19(10-8-17)6-5-16(20)21-15-11-13-3-4-14(12-15)18(13)2/h13-15H,3-12H2,1-2H3/t13-,14+,15?
C16H29N3O2295.42042100
1361597

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H29N3O2/c1-17-7-9-19(10-8-17)6-5-16(20)21-15-11-13-3-4-14(12-15)18(13)2/h13-15H,3-12H2,1-2H3/p+3/t13-,14+,15?
C16H32N3O2298.44251100
3658904

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H29N3O2/c1-17-7-9-19(10-8-17)6-5-16(20)21-15-11-13-3-4-14(12-15)18(13)2/h13-15H,3-12H2,1-2H3/p+3
C16H32N3O2298.444181100

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