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: KKAGQDJCBNLWGS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3020519

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H29NO3/c1-4-15(2)12-16(8-11-20-15)7-5-9-17(13-16)10-6-14(18)19-3/h4-13H2,1-3H3
C16H29NO3283.406368700
5429756

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H29NO3/c1-4-15(2)12-16(8-11-20-15)7-5-9-17(13-16)10-6-14(18)19-3/h4-13H2,1-3H3/t15-,16+/m0/s1
C16H29NO3283.40644100
812835

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H29NO3/c1-4-15(2)12-16(8-11-20-15)7-5-9-17(13-16)10-6-14(18)19-3/h4-13H2,1-3H3/t15-,16+/m1/s1
C16H29NO3283.40642100
5327457

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H29NO3/c1-4-15(2)12-16(8-11-20-15)7-5-9-17(13-16)10-6-14(18)19-3/h4-13H2,1-3H3/p+1/t15-,16+/m1/s1
C16H30NO3284.41431100
5429755

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H29NO3/c1-4-15(2)12-16(8-11-20-15)7-5-9-17(13-16)10-6-14(18)19-3/h4-13H2,1-3H3/p+1/t15-,16+/m0/s1
C16H30NO3284.41381100

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