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: KDPQTPZDVJHMET (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83814

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m1/s1
C20H24O3312.4028426078
3158

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3
C20H24O3312.4028131701
5142823

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16?,17?,18?,20-/m0/s1
C20H24O3312.402810700
552381

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18-,20-/m1/s1
C20H24O3312.40284400
64872703

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m0/s1
C20H24O3312.40284300
107445078

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m1/s1/i3D2,5D2,16D
C20H19D5O3317.43362200
111310055

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m0/s1/i3D2,5D2,16D
C20H19D5O3317.43361100
114814644

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17+,18+,20-/m0/s1
C20H24O3312.40281100
78432528

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17+,18-,20-/m0/s1
C20H24O3312.40281100
58818353

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18-,20?/m1/s1
C20H24O3312.40281100

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