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 19 results

Search term: KLMZPLYXGZZBCX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65303

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15-,17-,18-,19+,20+/m1/s1
C20H30O3318.4504151300
29365100

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17+,18-,19+,20+/m1/s1
C20H30O3318.4504101200
34526681

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13?,14-,15-,17-,18-,19+,20+/m1/s1
C20H30O3318.45045400
4476986

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3
C20H30O3318.45045400
4479692

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13?,14-,15-,17-,18-,19?,20+/m1/s1
C20H30O3318.45043200
57256793

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14+,15+,17?,18+,19-,20-/m0/s1
C20H30O3318.45043200
82965649

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14+,15+,17+,18+,19-,20-/m1/s1
C20H30O3318.45042100
95601270

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15-,17?,18-,19+,20+/m1/s1
C20H30O3318.45042200
24702217

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14+,15+,17-,18+,19-,20-/m0/s1
C20H30O3318.45042200
399604

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15?,17?,18-,19+,20+/m1/s1
C20H30O3318.45042200
128938622

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14+,15+,17+,18+,19-,20-/m0/s1
C20H30O3318.45042200
52563872

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17?,18-,19+,20+/m1/s1
C20H30O3318.45041100
34448442

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17+,18+,19+,20-/m1/s1
C20H30O3318.45041200
98612532

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14+,15-,17+,18-,19+,20+/m1/s1
C20H30O3318.45041100
113611935

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14+,15+,17+,18-,19+,20-/m0/s1
C20H30O3318.45041100
58815993

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15-,17?,18-,19+,20?/m1/s1
C20H30O3318.45041200
65323125

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17?,18+,19+,20?/m1/s1
C20H30O3318.45041100
82827275

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15-,17-,18-,19+,20+/m0/s1
C20H30O3318.45041100

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