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 9 results

Search term: APLLVFVOTXZBFO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
391313

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9?,10-,11?,12-/m1/s1
C13H23NO3241.3266121100
3684612

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3
C13H23NO3241.326623100
60600998

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9-,10-,11+,12-/m1/s1
C13H23NO3241.32663200
7719742

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9-,10+,11+,12-/m1/s1
C13H23NO3241.32662100
8235810

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9?,10?,11?,12-/m1/s1
C13H23NO3241.32662100
7719740

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9-,10-,11+,12+/m0/s1
C13H23NO3241.32662100
7719741

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/p+1/t9-,10+,11+,12-/m1/s1
C13H24NO3242.3341100
7719739

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/p+1/t9-,10-,11+,12+/m0/s1
C13H24NO3242.3341100

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