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: QXLZASULNNCSEF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
107447747

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H27ClO7/c1-2-29-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)18(25)20(27)21(28)19(26)17(24)11-23/h3-8,10,17-21,23-28H,2,9,11H2,1H3/t17-,18?,19-,20+,21+/m1/s1
C21H27ClO7426.88794800
107444097

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H27ClO7/c1-2-29-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)18(25)20(27)21(28)19(26)17(24)11-23/h3-8,10,17-21,23-28H,2,9,11H2,1H3/t17?,18?,19-,20+,21+/m1/s1
C21H27ClO7426.88792200
107444098

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C21H27ClO7/c1-2-29-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)18(25)20(27)21(28)19(26)17(24)11-23/h3-8,10,17-21,23-28H,2,9,11H2,1H3/t17?,18-,19-,20+,21+/m1/s1/i1D3,2D2
C21H22D5ClO7431.91872200
110805442

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H27ClO7/c1-2-29-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)18(25)20(27)21(28)19(26)17(24)11-23/h3-8,10,17-21,23-28H,2,9,11H2,1H3/t17?,18-,19-,20+,21+/m1/s1
C21H27ClO7426.88791100
111309819

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H27ClO7/c1-2-29-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)18(25)20(27)21(28)19(26)17(24)11-23/h3-8,10,17-21,23-28H,2,9,11H2,1H3/t17?,18?,19-,20+,21+/m0/s1
C21H27ClO7426.88791100

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