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: CJCWTDJNBCJPSO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3558155

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H34N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)15-23-10-8-9-18(16-23)22(25)24-11-6-4-5-7-12-24/h13-14,18H,4-12,15-16H2,1-3H3
C22H34N2O4390.51636151100
1166241

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H34N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)15-23-10-8-9-18(16-23)22(25)24-11-6-4-5-7-12-24/h13-14,18H,4-12,15-16H2,1-3H3/t18-/m1/s1
C22H34N2O4390.51642100
1166243

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H34N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)15-23-10-8-9-18(16-23)22(25)24-11-6-4-5-7-12-24/h13-14,18H,4-12,15-16H2,1-3H3/t18-/m0/s1
C22H34N2O4390.51642100
1166240

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H34N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)15-23-10-8-9-18(16-23)22(25)24-11-6-4-5-7-12-24/h13-14,18H,4-12,15-16H2,1-3H3/p+1/t18-/m1/s1
C22H35N2O4391.52381100
1166242

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H34N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)15-23-10-8-9-18(16-23)22(25)24-11-6-4-5-7-12-24/h13-14,18H,4-12,15-16H2,1-3H3/p+1/t18-/m0/s1
C22H35N2O4391.52381100
4158871

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H34N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)15-23-10-8-9-18(16-23)22(25)24-11-6-4-5-7-12-24/h13-14,18H,4-12,15-16H2,1-3H3/p+1
C22H35N2O4391.52431100

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