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 6 results

Search term: KNDPLJZJPQWOMQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8557434

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17-,18-,20+,21-/m0/s1
C21H30O3330.4611161200
17241834

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17+,18-,20+,21-/m1/s1
C21H30O3330.46115500
9407835

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17-,18-,20?,21-/m0/s1
C21H30O3330.46112100
10477605

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16?,17-,18-,20?,21-/m0/s1
C21H30O3330.46112200
78437669

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5-/t14-,16+,17-,18-,20+,21-/m0/s1
C21H30O3330.46111100
113600474

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17-,18-,20+,21-/m1/s1
C21H30O3330.46111100

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