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 6 results

Search term: QMKJDTHWFXXVPD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
241223

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H28N2O5/c1-33-26(31)24(18-21-13-7-3-8-14-21)28-25(30)23(17-20-11-5-2-6-12-20)29-27(32)34-19-22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3,(H,28,30)(H,29,32)
C27H28N2O5460.5216141318
87902

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H28N2O5/c1-33-26(31)24(18-21-13-7-3-8-14-21)28-25(30)23(17-20-11-5-2-6-12-20)29-27(32)34-19-22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3,(H,28,30)(H,29,32)/t23-,24-/m0/s1
C27H28N2O5460.5216131400
25003950

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H28N2O5/c1-33-26(31)24(18-21-13-7-3-8-14-21)28-25(30)23(17-20-11-5-2-6-12-20)29-27(32)34-19-22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3,(H,28,30)(H,29,32)/t23-,24+/m0/s1
C27H28N2O5460.52164400
22903506

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C27H28N2O5/c1-33-26(31)24(18-21-13-7-3-8-14-21)28-25(30)23(17-20-11-5-2-6-12-20)29-27(32)34-19-22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3,(H,28,30)(H,29,32)/t23?,24-/m0/s1
C27H28N2O5460.52162200
25003861

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H28N2O5/c1-33-26(31)24(18-21-13-7-3-8-14-21)28-25(30)23(17-20-11-5-2-6-12-20)29-27(32)34-19-22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3,(H,28,30)(H,29,32)/t23-,24-/m1/s1
C27H28N2O5460.52161100
25013348

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H28N2O5/c1-33-26(31)24(18-21-13-7-3-8-14-21)28-25(30)23(17-20-11-5-2-6-12-20)29-27(32)34-19-22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3,(H,28,30)(H,29,32)/t23-,24+/m1/s1
C27H28N2O5460.52161100

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