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 16 results

Search term: RLLPVAHGXHCWKJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
36845


0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
C21H20Cl2O3391.2877111123944846711
39931

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1
C21H20Cl2O3391.28774475567
36968

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1
C21H20Cl2O3391.28773982546
36702

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m0/s1
C21H20Cl2O3391.28773342566
55923

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m1/s1
C21H20Cl2O3391.28771616546
48062533

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/i3D,4D,5D,8D,9D
C21H15D5Cl2O3396.3185111600
23936987

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19?/m0/s1
C21H20Cl2O3391.28775500
32816563

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1/i1D3,2D3
C21H14D6Cl2O3397.324751200
107439799

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D
C21H11D9Cl2O3400.34324400
19961261

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17?,19-/m0/s1
C21H20Cl2O3391.28773300
95601914

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1/i3+1,4+1,5+1,8+1,9+1,15+1
C1513C6H20Cl2O3397.24362200
107449843

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1/i3D,4D,5D,8D,9D
C21H15D5Cl2O3396.31851100
110406361

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/i6+2,7+2,10+2,11+2,14+2,16+2
C1514C6H20Cl2O3403.24291100
114394562

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1/i6+2,7+2,10+2,11+2,14+2,16+2
C1514C6H20Cl2O3403.24291100
114394563

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1/i6+2,7+2,10+2,11+2,14+2,16+2
C1514C6H20Cl2O3403.24291100
78315617

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19?/m1/s1
C21H20Cl2O3391.28771100

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