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: IHDJYDVWNNFPHR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10260677

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9-,10-,13-/m1/s1
C13H22O3226.312181402
28686142

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3
C13H22O3226.3123100
9622330

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9-,10?,13-/m1/s1
C13H22O3226.3122100
129310646

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9?,10?,13-/m1/s1
C13H22O3226.3121100

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