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 4 results

Search term: RBRXSOQZFBBJOM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11888430

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23N5O3/c1-3-8-23-20(27)15-11-16-19(26(17(15)22)12-14-7-5-10-29-14)24-18-13(2)6-4-9-25(18)21(16)28/h3-4,6,9,11,14,22H,1,5,7-8,10,12H2,2H3,(H,23,27)
C21H23N5O3393.439201600
2403395

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23N5O3/c1-3-8-23-20(27)15-11-16-19(26(17(15)22)12-14-7-5-10-29-14)24-18-13(2)6-4-9-25(18)21(16)28/h3-4,6,9,11,14,22H,1,5,7-8,10,12H2,2H3,(H,23,27)/b22-17+
C21H23N5O3393.4395200
5612121

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23N5O3/c1-3-8-23-20(27)15-11-16-19(26(17(15)22)12-14-7-5-10-29-14)24-18-13(2)6-4-9-25(18)21(16)28/h3-4,6,9,11,14,22H,1,5,7-8,10,12H2,2H3,(H,23,27)/p+1/t14-/m0/s1
C21H24N5O3394.44642100
5612122

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23N5O3/c1-3-8-23-20(27)15-11-16-19(26(17(15)22)12-14-7-5-10-29-14)24-18-13(2)6-4-9-25(18)21(16)28/h3-4,6,9,11,14,22H,1,5,7-8,10,12H2,2H3,(H,23,27)/p+1/t14-/m1/s1
C21H24N5O3394.44642100

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