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 5 results

Search term: REJVXDBQXPDZQN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2832640

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C37H49N3O6/c1-25-33(23-40(4)26(2)35(44)29-11-7-5-8-12-29)45-37(46-36(25)30-16-14-28(24-41)15-17-30)31-18-20-32(21-19-31)39-34(43)13-9-6-10-22-38-27(3)42/h5,7-8,11-12,14-21,25-26,33,35-37,41,44H,6,9-10,13,22-24H2,1-4H3,(H,38,42)(H,39,43)
C37H49N3O6631.8014599999982100
5136860

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C37H49N3O6/c1-25-33(23-40(4)26(2)35(44)29-11-7-5-8-12-29)45-37(46-36(25)30-16-14-28(24-41)15-17-30)31-18-20-32(21-19-31)39-34(43)13-9-6-10-22-38-27(3)42/h5,7-8,11-12,14-21,25-26,33,35-37,41,44H,6,9-10,13,22-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,26+,33+,35+,36+,37+/m0/s1
C37H49N3O6631.80152100
5136882

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C37H49N3O6/c1-25-33(23-40(4)26(2)35(44)29-11-7-5-8-12-29)45-37(46-36(25)30-16-14-28(24-41)15-17-30)31-18-20-32(21-19-31)39-34(43)13-9-6-10-22-38-27(3)42/h5,7-8,11-12,14-21,25-26,33,35-37,41,44H,6,9-10,13,22-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,26-,33+,35-,36+,37+/m0/s1
C37H49N3O6631.80152100
5137960

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C37H49N3O6/c1-25-33(23-40(4)26(2)35(44)29-11-7-5-8-12-29)45-37(46-36(25)30-16-14-28(24-41)15-17-30)31-18-20-32(21-19-31)39-34(43)13-9-6-10-22-38-27(3)42/h5,7-8,11-12,14-21,25-26,33,35-37,41,44H,6,9-10,13,22-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,26-,33+,35-,36+,37+/m1/s1
C37H49N3O6631.80152100
5137982

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C37H49N3O6/c1-25-33(23-40(4)26(2)35(44)29-11-7-5-8-12-29)45-37(46-36(25)30-16-14-28(24-41)15-17-30)31-18-20-32(21-19-31)39-34(43)13-9-6-10-22-38-27(3)42/h5,7-8,11-12,14-21,25-26,33,35-37,41,44H,6,9-10,13,22-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,26+,33+,35+,36+,37+/m1/s1
C37H49N3O6631.80152100

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