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 4 results

Search term: KXMXWVJKEUSIIB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
109334

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H46Cl2N2O3/c1-32-16-19-36-30(38)22-24(32)8-11-26-27-12-13-29(33(27,2)15-14-28(26)32)40-31(39)5-3-4-23-6-9-25(10-7-23)37(20-17-34)21-18-35/h6-7,9-10,22,26-29H,3-5,8,11-21H2,1-2H3,(H,36,38)/t26-,27-,28-,29-,32-,33-/m0/s1
C33H46Cl2N2O3589.63595500
319963

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C33H46Cl2N2O3/c1-32-16-19-36-30(38)22-24(32)8-11-26-27-12-13-29(33(27,2)15-14-28(26)32)40-31(39)5-3-4-23-6-9-25(10-7-23)37(20-17-34)21-18-35/h6-7,9-10,22,26-29H,3-5,8,11-21H2,1-2H3,(H,36,38)/t26-,27?,28?,29-,32-,33-/m0/s1
C33H46Cl2N2O3589.63592200
2677574

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C33H46Cl2N2O3/c1-32-16-19-36-30(38)22-24(32)8-11-26-27-12-13-29(33(27,2)15-14-28(26)32)40-31(39)5-3-4-23-6-9-25(10-7-23)37(20-17-34)21-18-35/h6-7,9-10,22,26-29H,3-5,8,11-21H2,1-2H3,(H,36,38)
C33H46Cl2N2O3589.6359399999982100
58843133

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H46Cl2N2O3/c1-32-16-19-36-30(38)22-24(32)8-11-26-27-12-13-29(33(27,2)15-14-28(26)32)40-31(39)5-3-4-23-6-9-25(10-7-23)37(20-17-34)21-18-35/h6-7,9-10,22,26-29H,3-5,8,11-21H2,1-2H3,(H,36,38)/t26-,27+,28+,29-,32-,33-/m0/s1
C33H46Cl2N2O3589.63591100

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