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: HCUDSHFZFQXKTP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2222958

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H28N4O5/c1-30-21(29)15-3-5-16(6-4-15)25-18(26)13-17(20(25)28)23-9-2-10-24-11-7-14(8-12-24)19(22)27/h3-6,14,17,23H,2,7-13H2,1H3,(H2,22,27)
C21H28N4O5416.47082191500
5649392

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H28N4O5/c1-30-21(29)15-3-5-16(6-4-15)25-18(26)13-17(20(25)28)23-9-2-10-24-11-7-14(8-12-24)19(22)27/h3-6,14,17,23H,2,7-13H2,1H3,(H2,22,27)/t17-/m0/s1
C21H28N4O5416.47082100
5649394

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H28N4O5/c1-30-21(29)15-3-5-16(6-4-15)25-18(26)13-17(20(25)28)23-9-2-10-24-11-7-14(8-12-24)19(22)27/h3-6,14,17,23H,2,7-13H2,1H3,(H2,22,27)/t17-/m1/s1
C21H28N4O5416.47082100
5649393

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H28N4O5/c1-30-21(29)15-3-5-16(6-4-15)25-18(26)13-17(20(25)28)23-9-2-10-24-11-7-14(8-12-24)19(22)27/h3-6,14,17,23H,2,7-13H2,1H3,(H2,22,27)/p+2/t17-/m1/s1
C21H30N4O5418.48561100
5649391

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H28N4O5/c1-30-21(29)15-3-5-16(6-4-15)25-18(26)13-17(20(25)28)23-9-2-10-24-11-7-14(8-12-24)19(22)27/h3-6,14,17,23H,2,7-13H2,1H3,(H2,22,27)/p+2/t17-/m0/s1
C21H30N4O5418.48561100

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