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 5 results

Search term: XNKPKLJCHQDNQO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19994068

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H34FNO4/c1-22(2,29)17-14-23-7-8-25(17,30-3)21-24(23)9-12-27(11-4-10-26)18(23)13-15-5-6-16(28)20(31-21)19(15)24/h5-6,17-18,21,28-29H,4,7-14H2,1-3H3/t17-,18-,21-,23-,24+,25-/m1/s1
C25H34FNO4431.54027600
169468

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C25H34FNO4/c1-22(2,29)17-14-23-7-8-25(17,30-3)21-24(23)9-12-27(11-4-10-26)18(23)13-15-5-6-16(28)20(31-21)19(15)24/h5-6,17-18,21,28-29H,4,7-14H2,1-3H3
C25H34FNO4431.54024400
397303

4 of 6 defined stereocentres - 4/6 defined

Non-standard isotope
InChI=1/C25H34FNO4/c1-22(2,29)17-14-23-7-8-25(17,30-3)21-24(23)9-12-27(11-4-10-26)18(23)13-15-5-6-16(28)20(31-21)19(15)24/h5-6,17-18,21,28-29H,4,7-14H2,1-3H3/t17-,18?,21-,23-,24?,25-/m1/s1/i26-1
C25H3418FNO4430.54272200
23131967

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C25H34FNO4/c1-22(2,29)17-14-23-7-8-25(17,30-3)21-24(23)9-12-27(11-4-10-26)18(23)13-15-5-6-16(28)20(31-21)19(15)24/h5-6,17-18,21,28-29H,4,7-14H2,1-3H3/t17-,18-,21-,23?,24+,25?/m1/s1
C25H34FNO4431.54022200
58134168

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C25H34FNO4/c1-22(2,29)17-14-23-7-8-25(17,30-3)21-24(23)9-12-27(11-4-10-26)18(23)13-15-5-6-16(28)20(31-21)19(15)24/h5-6,17-18,21,28-29H,4,7-14H2,1-3H3/t17-,18-,21-,23-,24+,25-/m1/s1/i26-1
C25H3418FNO4430.54272200

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