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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 6 results

Search term: NOEROADCEPGVQJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4947620

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-12-21(20,19(25)26-2)15(13)10-17(23)18(20)24/h3-7,12,15,17H,8-11H2,1-2H3/b13-3-/t15-,17-,20?,21-/m0/s1
C21H22N2O3350.4112200
88298313

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-12-21(20,19(25)26-2)15(13)10-17(23)18(20)24/h3-7,12,15,17H,8-11H2,1-2H3/b13-3+/t15-,17-,20+,21+/m1/s1
C21H22N2O3350.4112100
115015221

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-12-21(20,19(25)26-2)15(13)10-17(23)18(20)24/h3-7,12,15,17H,8-11H2,1-2H3/b13-3+/t15?,17?,20-,21-/m0/s1
C21H22N2O3350.4111100
123962466

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-12-21(20,19(25)26-2)15(13)10-17(23)18(20)24/h3-7,12,15,17H,8-11H2,1-2H3/b13-3+/t15-,17?,20+,21+/m1/s1
C21H22N2O3350.4111100
58818399

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-12-21(20,19(25)26-2)15(13)10-17(23)18(20)24/h3-7,12,15,17H,8-11H2,1-2H3/b13-3-/t15-,17-,20?,21?/m0/s1
C21H22N2O3350.4111100

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