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: JEMOGQYNLSWGPL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9175361

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10-,13-/m1/s1
C13H21NO3S271.3757463300
9251692

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10-,13-/m0/s1
C13H21NO3S271.3757453300
29318969

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9?,10-,13?/m1/s1
C13H21NO3S271.3757221500
31150251

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9?,10-,13?/m0/s1
C13H21NO3S271.3757201300
13514079

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3
C13H21NO3S271.3757101500
38236627

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10+,13+/m0/s1
C13H21NO3S271.37576500
38236628

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10+,13+/m1/s1
C13H21NO3S271.37575500
68014643

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10-,13+/m1/s1
C13H21NO3S271.37572300
68014644

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10-,13+/m0/s1
C13H21NO3S271.37572300
27472486

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10+,13-/m0/s1
C13H21NO3S271.37572100
9566558

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10-,13-/m0/s1/i11+2
C1214CH21NO3S273.36832200
8715452

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10?,13-/m0/s1
C13H21NO3S271.37572100
74109695

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10+,13-/m1/s1
C13H21NO3S271.37571100
115046399

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10+,13?/m0/s1
C13H21NO3S271.37571100

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