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 7 results

Search term: VUHJZBBCZGVNDZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447590

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1
C21H27ClO3362.89035066075
58778649

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1/i1D3,4D2,10D
C21H21D6ClO3368.92736700
15253

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14?,15-,16-,19?,20?,21-/m0/s1
C21H27ClO3362.89034300
14906078

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3
C21H27ClO3362.89034400
9900904

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16?,19-,20+,21+/m1/s1
C21H27ClO3362.89032100
107450081

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1/i1D3,4D2,10D,11D
C21H20D7ClO3369.93341100
114392865

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15?,16+,19-,20+,21+/m1/s1/i1D3,4D2,10D,11D
C21H20D7ClO3369.93341100

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