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 8 results

Search term: NTTFSNRBMIOKLX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
75933

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9+/m1/s1
C9H18O6222.2356222200
263423

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3
C9H18O6222.235610700
9313811

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3/t5-,6-,7+,8+,9+/m1/s1
C9H18O6222.23562100
9991554

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3/t5-,6+,7+,8-,9-/m1/s1
C9H18O6222.23562100
110462079

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3/t5?,6-,7-,8?,9+/m1/s1
C9H18O6222.23562200
111308709

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3/t5?,6-,7-,8?,9+/m0/s1
C9H18O6222.23561100
97509030

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3/t5?,6-,7-,8?,9-/m1/s1
C9H18O6222.23561100
108528981

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3/t5?,6-,7+,8?,9+/m1/s1
C9H18O6222.23561100

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