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 13 results

Search term: PTQMMNYJKCSPET (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
220460

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
C20H30O2302.451526410
3810787

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3
C20H30O2302.451611300
48052638

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20-/m1/s1
C20H30O2302.4514200
18333

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12?,15?,16-,17?,18?,19?,20+/m1/s1
C20H30O2302.4513300
58784431

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1/i3D3
C20H27D3O2305.46952500
58816270

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19?,20+/m1/s1
C20H30O2302.4511100
65793231

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12?,15-,16+,17-,18+,19-,20?/m0/s1
C20H30O2302.4511100
111312154

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18?,19+,20+/m1/s1
C20H30O2302.4511100
111312155

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18?,19+,20+/m0/s1/i3D3
C20H27D3O2305.46951100
23158704

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16?,17?,18?,19+,20+/m1/s1
C20H30O2302.4511100

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