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: JFMDWSCOQLUOCZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
379723

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)
C12H18O3210.2695926300
24740365

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/t8-,9+,11-,12-
C12H18O3210.2695171900
622460

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/t8-,9+,11?,12?
C12H18O3210.26955200
26334103

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/t8-,9-,11-,12-/m1/s1
C12H18O3210.26952200
64858205

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/t8?,9?,11-,12-
C12H18O3210.26951100
97508757

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/t8-,9+,11+,12+
C12H18O3210.26951100
108539345

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/t8-,9?,11?,12?/m1/s1
C12H18O3210.26951100
1722436

Charge

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/p-1/t8-,9-,11?,12?/m1/s1
C12H17O3209.26211100
4267228

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/p-1
C12H17O3209.261581100

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