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: BKWZMLAKECDSJH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4466514

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H21FN4O4/c1-12-10-17(23-29-12)25-18(26)11-16(20(25)28)24-8-6-15(7-9-24)22-19(27)13-2-4-14(21)5-3-13/h2-5,10,15-16H,6-9,11H2,1H3,(H,22,27)
C20H21FN4O4400.403543210800
5684651

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21FN4O4/c1-12-10-17(23-29-12)25-18(26)11-16(20(25)28)24-8-6-15(7-9-24)22-19(27)13-2-4-14(21)5-3-13/h2-5,10,15-16H,6-9,11H2,1H3,(H,22,27)/t16-/m0/s1
C20H21FN4O4400.40352100
5684653

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21FN4O4/c1-12-10-17(23-29-12)25-18(26)11-16(20(25)28)24-8-6-15(7-9-24)22-19(27)13-2-4-14(21)5-3-13/h2-5,10,15-16H,6-9,11H2,1H3,(H,22,27)/t16-/m1/s1
C20H21FN4O4400.40352100
5684652

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21FN4O4/c1-12-10-17(23-29-12)25-18(26)11-16(20(25)28)24-8-6-15(7-9-24)22-19(27)13-2-4-14(21)5-3-13/h2-5,10,15-16H,6-9,11H2,1H3,(H,22,27)/p+1/t16-/m1/s1
C20H22FN4O4401.41091100
5684650

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21FN4O4/c1-12-10-17(23-29-12)25-18(26)11-16(20(25)28)24-8-6-15(7-9-24)22-19(27)13-2-4-14(21)5-3-13/h2-5,10,15-16H,6-9,11H2,1H3,(H,22,27)/p+1/t16-/m0/s1
C20H22FN4O4401.41091100

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