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
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Single/Multi-component
Isotopically Labeled
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Found 7 results

Search term: NZFNABGZEQPYBX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8025739

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-/m0/s1
C25H40ClNO3438.043211600
32821976

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18+,19+,20-,21-,22+,24-,25-/m0/s1
C25H40ClNO3438.0433200
8178812

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17?,18?,19?,20+,21-,22-,24-,25-/m0/s1
C25H40ClNO3438.0432100
8000161

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18-,19-,20?,21-,22-,24-,25-/m0/s1
C25H40ClNO3438.0432100
21376007

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16?,17-,18-,19-,20+,21?,22?,24-,25-/m0/s1
C25H40ClNO3438.0431100
107444442

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18+,19-,20+,21+,22-,24-,25-/m0/s1
C25H40ClNO3438.0431100
107444443

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18+,19-,20+,21+,22-,24-,25-/m0/s1/i9D2,10D2,11D2,12D2
C25H32D8ClNO3446.09231100

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