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 7 results

Search term: ASWLRRLLSBVSOH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3005692

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)
C16H28O3268.3917210600
4894452

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/t11-,12+,15-,16+/m0/s1
C16H28O3268.391710500
5029532

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/t11-,12-,15+,16-/m1/s1
C16H28O3268.39172100
8118923

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/t11?,12-,15+,16-/m1/s1
C16H28O3268.39172100
809261

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/t11-,12-,15-,16-/m0/s1
C16H28O3268.39172100
1400304

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/p-1/t11-,12-,15-,16-/m0/s1
C16H27O3267.38431100
10050539

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/p-1/t11-,12+,15-,16+/m0/s1
C16H27O3267.38431100

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