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
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Found 5 results

Search term: DTIABXSIIHQJFW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4753328

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H25N5O4/c1-15-13-26(14-16(2)31-15)20-18(22(29)27-6-4-3-5-19(27)24-20)11-17(12-23)21(28)25-7-9-30-10-8-25/h3-6,11,15-16H,7-10,13-14H2,1-2H3/b17-11+
C22H25N5O4423.465191200
3044080

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H25N5O4/c1-15-13-26(14-16(2)31-15)20-18(22(29)27-6-4-3-5-19(27)24-20)11-17(12-23)21(28)25-7-9-30-10-8-25/h3-6,11,15-16H,7-10,13-14H2,1-2H3
C22H25N5O4423.4653200
1429165

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H25N5O4/c1-15-13-26(14-16(2)31-15)20-18(22(29)27-6-4-3-5-19(27)24-20)11-17(12-23)21(28)25-7-9-30-10-8-25/h3-6,11,15-16H,7-10,13-14H2,1-2H3/b17-11+/t15-,16+
C22H25N5O4423.4652100
5269709

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H25N5O4/c1-15-13-26(14-16(2)31-15)20-18(22(29)27-6-4-3-5-19(27)24-20)11-17(12-23)21(28)25-7-9-30-10-8-25/h3-6,11,15-16H,7-10,13-14H2,1-2H3/b17-11+/t15-,16-/m0/s1
C22H25N5O4423.4652100
5780028

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H25N5O4/c1-15-13-26(14-16(2)31-15)20-18(22(29)27-6-4-3-5-19(27)24-20)11-17(12-23)21(28)25-7-9-30-10-8-25/h3-6,11,15-16H,7-10,13-14H2,1-2H3/b17-11+/t15-,16-/m1/s1
C22H25N5O4423.4652100

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