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 6 results

Search term: XEDFTGXKVQWEPB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
512632

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H21ClN2O3/c22-11-17-13-26-21(27-17)18-7-3-4-8-19(18)24(20(21)25)14-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17H,9-14H2
C21H21ClN2O3384.856251700
1041256

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H21ClN2O3/c22-11-17-13-26-21(27-17)18-7-3-4-8-19(18)24(20(21)25)14-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17H,9-14H2/t17-,21+/m0/s1
C21H21ClN2O3384.8562100
5609974

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H21ClN2O3/c22-11-17-13-26-21(27-17)18-7-3-4-8-19(18)24(20(21)25)14-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17H,9-14H2/t17-,21-/m0/s1
C21H21ClN2O3384.8562100
62385456

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H21ClN2O3/c22-11-17-13-26-21(27-17)18-7-3-4-8-19(18)24(20(21)25)14-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17H,9-14H2/t17-,21+/m1/s1
C21H21ClN2O3384.8561100
5609972

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H21ClN2O3/c22-11-17-13-26-21(27-17)18-7-3-4-8-19(18)24(20(21)25)14-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17H,9-14H2/p+1/t17-,21+/m0/s1
C21H22ClN2O3385.86341100
5609973

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H21ClN2O3/c22-11-17-13-26-21(27-17)18-7-3-4-8-19(18)24(20(21)25)14-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17H,9-14H2/p+1/t17-,21-/m0/s1
C21H22ClN2O3385.86341100

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