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: FKENQMMABCRJMK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
115306

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
C8H11NO5S233.241611712600
5125

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)
C8H11NO5S233.2416421065212331
45490

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6?/m1/s1
C8H11NO5S233.241611900
10016171

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5?,6-/m0/s1
C8H11NO5S233.241610900
716925

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m0/s1
C8H11NO5S233.24169300
2644794

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/p-1
C8H10NO5S232.23428600
580880

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6-/m1/s1
C8H11NO5S233.24166300
5320065

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/p-1/t5-,6+/m0/s1
C8H10NO5S232.23372100
5381292

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6-/m0/s1
C8H11NO5S233.24162100
8021383

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6?/m0/s1
C8H11NO5S233.24161100
113600664

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5?,6-/m1/s1
C8H11NO5S233.24161100
5342004

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/p-1/t5-,6+/m1/s1
C8H10NO5S232.23421100
5381291

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/p-1/t5-,6-/m0/s1
C8H10NO5S232.23421100
5294183

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/p-1/t5-,6-/m1/s1
C8H10NO5S232.23371100

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