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 11 results

Search term: CLJGMBYGTHRUNF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57530406

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8-,9+,10-,11-,12-,13+,14-,16+/m0/s1
C16H28O7332.38936500
159855

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16+/m0/s1
C16H28O7332.38936500
2775109

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)
C16H28O7332.389325300
73983345

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8-,9+,10-,11+,12+,13-,14+,16-/m1/s1
C16H28O7332.38935400
77498975

6 of 8 defined stereocentres - 6/8 defined

Non-standard isotope
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8-,9+,10-,11?,12+,13?,14+,16-/m1/s1/i6D2,9D,10D
C16H24D4O7336.4144600
77498976

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8-,9-,10-,11?,12+,13?,14+,16-/m1/s1
C16H28O7332.38934600
88298085

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10-,11+,12+,13+,14-,16+/m1/s1
C16H28O7332.38934400
117539

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13-,14+,16-/m0/s1
C16H28O7332.38933300
96316941

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8-,9+,10-,11?,12+,13?,14+,16-/m1/s1
C16H28O7332.38931100
128922146

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8-,9?,10-,11+,12+,13-,14+,16-/m1/s1
C16H28O7332.38931100

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