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: HHLFEKGPFKSEJX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4590683

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18-,21-,22+/m0/s1
C22H29NO4371.473200
5292121

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18-,21+,22+/m0/s1
C22H29NO4371.469963200
23190359

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1
C22H29NO4371.473300
95638402

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3
C22H29NO4371.472200
8220305

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21-,22+/m0/s1
C22H29NO4371.472100

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