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: BABHMWLFTDIKCA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2129307

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2
C16H27NO2265.3910816800
5430995

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2/t12?,13?,14?,15-,16?/m0/s1
C16H27NO2265.39112100
5430997

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2/t12?,13?,14?,15-,16?/m1/s1
C16H27NO2265.39112100
5430996

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2/p+1/t12?,13?,14?,15-,16?/m1/s1
C16H28NO2266.39851100
3852788

Charge

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2/p+1
C16H28NO2266.39851100
5430994

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2/p+1/t12?,13?,14?,15-,16?/m0/s1
C16H28NO2266.39851100

Advertisement