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: DSKYCKXZSYCMMV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11888313

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27N5O4/c1-14-6-3-8-27-19(14)25-20-17(22(27)29)12-16(18(23)26(20)9-5-10-30-2)21(28)24-13-15-7-4-11-31-15/h3,6,8,12,15,23H,4-5,7,9-11,13H2,1-2H3,(H,24,28)
C22H27N5O4425.4809221900
568477

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27N5O4/c1-14-6-3-8-27-19(14)25-20-17(22(27)29)12-16(18(23)26(20)9-5-10-30-2)21(28)24-13-15-7-4-11-31-15/h3,6,8,12,15,23H,4-5,7,9-11,13H2,1-2H3,(H,24,28)/b23-18+
C22H27N5O4425.48095200
5378305

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27N5O4/c1-14-6-3-8-27-19(14)25-20-17(22(27)29)12-16(18(23)26(20)9-5-10-30-2)21(28)24-13-15-7-4-11-31-15/h3,6,8,12,15,23H,4-5,7,9-11,13H2,1-2H3,(H,24,28)/p+1/t15-/m0/s1
C22H28N5O4426.48832100
5551453

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27N5O4/c1-14-6-3-8-27-19(14)25-20-17(22(27)29)12-16(18(23)26(20)9-5-10-30-2)21(28)24-13-15-7-4-11-31-15/h3,6,8,12,15,23H,4-5,7,9-11,13H2,1-2H3,(H,24,28)/p+1/t15-/m1/s1
C22H28N5O4426.48832100

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