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 19 results

Search term: LLPOLZWFYMWNKH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447623

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
C18H21NO3299.3642541063957
364475

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3
C18H21NO3299.36421622100
17345106

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1/i1D3
C18H18D3NO3302.3827112000
4514436

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11?,12-,17+,18+/m1/s1
C18H21NO3299.364283100
32675201

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1/i1D3,2D3
C18H15D6NO3305.401251200
4554352

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m1/s1
C18H21NO3299.36424100
4932128

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11?,12-,17?,18+/m1/s1
C18H21NO3299.36424600
58785104

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11?,12-,17+,18+/m1/s1/i1D3,2D3
C18H15D6NO3305.40122400
74052347

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12-,17+,18+/m1/s1
C18H21NO3299.36421100
57530334

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11?,12-,17-,18-/m0/s1/i2D3
C18H18D3NO3302.38271100
57530335

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11?,12-,17-,18-/m0/s1/i1D3,2D3
C18H15D6NO3305.40121100
58784595

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11?,12-,17+,18+/m1/s1/i2D3
C18H18D3NO3302.38271100
10036178

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/p+1/t11-,12+,17-,18-/m0/s1
C18H22NO3300.37161100
16787664

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12-,17-,18-/m0/s1
C18H21NO3299.36421100
4322773

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/p+1
C18H22NO3300.372181100
4607259

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/p+1/t11-,12+,17-,18-/m1/s1
C18H22NO3300.37161100

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