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 7 results

Search term: XJBYWFYXIAOOJI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22871543

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C25H32Cl2N2O3/c1-15-4-3-5-16-12-21-22(23(30)25(15,16)2)18(24(31)32-21)14-28-8-10-29(11-9-28)17-6-7-19(26)20(27)13-17/h5-7,13,15,18,21-23,30H,3-4,8-12,14H2,1-2H3/t15-,18?,21+,22+,23-,25+/m0/s1
C25H32Cl2N2O3479.43926500
1386929

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H32Cl2N2O3/c1-15-4-3-5-16-12-21-22(23(30)25(15,16)2)18(24(31)32-21)14-28-8-10-29(11-9-28)17-6-7-19(26)20(27)13-17/h5-7,13,15,18,21-23,30H,3-4,8-12,14H2,1-2H3/t15-,18-,21+,22+,23-,25+/m0/s1
C25H32Cl2N2O3479.43922100
4352031

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C25H32Cl2N2O3/c1-15-4-3-5-16-12-21-22(23(30)25(15,16)2)18(24(31)32-21)14-28-8-10-29(11-9-28)17-6-7-19(26)20(27)13-17/h5-7,13,15,18,21-23,30H,3-4,8-12,14H2,1-2H3
C25H32Cl2N2O3479.439182100
17464737

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C25H32Cl2N2O3/c1-15-4-3-5-16-12-21-22(23(30)25(15,16)2)18(24(31)32-21)14-28-8-10-29(11-9-28)17-6-7-19(26)20(27)13-17/h5-7,13,15,18,21-23,30H,3-4,8-12,14H2,1-2H3/t15?,18?,21-,22-,23?,25-/m1/s1
C25H32Cl2N2O3479.43922100
95504309

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C25H32Cl2N2O3/c1-15-4-3-5-16-12-21-22(23(30)25(15,16)2)18(24(31)32-21)14-28-8-10-29(11-9-28)17-6-7-19(26)20(27)13-17/h5-7,13,15,18,21-23,30H,3-4,8-12,14H2,1-2H3/t15-,18?,21-,22-,23+,25-/m1/s1
C25H32Cl2N2O3479.43921100
1386928

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H32Cl2N2O3/c1-15-4-3-5-16-12-21-22(23(30)25(15,16)2)18(24(31)32-21)14-28-8-10-29(11-9-28)17-6-7-19(26)20(27)13-17/h5-7,13,15,18,21-23,30H,3-4,8-12,14H2,1-2H3/p+1/t15-,18-,21+,22+,23-,25+/m0/s1
C25H33Cl2N2O3480.44661100

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