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: VCLJZCUTWGMTLN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4254167

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO4/c1-24-20-8-7-16(11-21(20)25-2)14-26-15-19(23)13-22-10-9-17-5-3-4-6-18(17)12-22/h3-8,11,19,23H,9-10,12-15H2,1-2H3
C21H27NO4357.443388800
5387540

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO4/c1-24-20-8-7-16(11-21(20)25-2)14-26-15-19(23)13-22-10-9-17-5-3-4-6-18(17)12-22/h3-8,11,19,23H,9-10,12-15H2,1-2H3/t19-/m1/s1
C21H27NO4357.44342100
5387542

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO4/c1-24-20-8-7-16(11-21(20)25-2)14-26-15-19(23)13-22-10-9-17-5-3-4-6-18(17)12-22/h3-8,11,19,23H,9-10,12-15H2,1-2H3/t19-/m0/s1
C21H27NO4357.44342100
5387541

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO4/c1-24-20-8-7-16(11-21(20)25-2)14-26-15-19(23)13-22-10-9-17-5-3-4-6-18(17)12-22/h3-8,11,19,23H,9-10,12-15H2,1-2H3/p+1/t19-/m0/s1
C21H28NO4358.45081100
5387539

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO4/c1-24-20-8-7-16(11-21(20)25-2)14-26-15-19(23)13-22-10-9-17-5-3-4-6-18(17)12-22/h3-8,11,19,23H,9-10,12-15H2,1-2H3/p+1/t19-/m1/s1
C21H28NO4358.45081100

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