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
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Single/Multi-component
Isotopically Labeled
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Found 3 results

Search term: RZQVEPSHNTZKSJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
169140

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H19N5O9S/c1-7(23)19-14-10(24)5-12(17(27)28)31-16(14)15(26)11(25)6-32-13-3-2-8(20-21-18)4-9(13)22(29)30/h2-5,10-11,14-16,24-26H,6H2,1H3,(H,19,23)(H,27,28)/t10-,11+,14+,15+,16+/m0/s1
C17H19N5O9S469.42598800
2340462

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C17H19N5O9S/c1-7(23)19-14-10(24)5-12(17(27)28)31-16(14)15(26)11(25)6-32-13-3-2-8(20-21-18)4-9(13)22(29)30/h2-5,10-11,14-16,24-26H,6H2,1H3,(H,19,23)(H,27,28)/t10-,11+,14+,15+,16+/m0/s1/i2T,4T
C17H18T2N5O9S474.4500185400
68024840

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C17H19N5O9S/c1-7(23)19-14-10(24)5-12(17(27)28)31-16(14)15(26)11(25)6-32-13-3-2-8(20-21-18)4-9(13)22(29)30/h2-5,10-11,14-16,24-26H,6H2,1H3,(H,19,23)(H,27,28)/t10-,11+,14?,15+,16+/m0/s1
C17H19N5O9S469.42591200

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