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 14 results

Search term: OTVAEFIXJLOWRX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
25315

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1
C12H15Cl2NO5S356.222211411962023
5240

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)
C12H15Cl2NO5S356.22224849110
129376

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m0/s1
C12H15Cl2NO5S356.2222221900
58785441

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1/i1D3
C12H12D3Cl2NO5S359.240771000
48063338

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1/i6D2,9D
C12H12D3Cl2NO5S359.24074400
77452057

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9?,10-/m1/s1/i6D2,9D
C12H12D3Cl2NO5S359.24073200
58785026

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m0/s1/i6D2,9D
C12H12D3Cl2NO5S359.24072200
48063337

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9?,10-/m1/s1
C12H15Cl2NO5S356.22222100
77431643

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1/i9D
C12H14DCl2NO5S357.22842200
68026308

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9?,10-/m0/s1
C12H15Cl2NO5S356.22221100
68026309

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9?,10-/m1/s1/i9D
C12H14DCl2NO5S357.22841100
78315686

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10+/m0/s1
C12H15Cl2NO5S356.22221100
107442313

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10?/m0/s1/i6D2,9D
C12H12D3Cl2NO5S359.24071300

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