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 9 results

Search term: DAFGBJNYNSYTIU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2200620

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)
C12H13NO6S299.29972131000
704548

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)/t10-,11+/m1/s1
C12H13NO6S299.29972100
704549

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)/t10-,11-/m1/s1
C12H13NO6S299.29972100
704550

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)/t10-,11-/m0/s1
C12H13NO6S299.29972100
704551

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)/t10-,11+/m0/s1
C12H13NO6S299.29972100
5318764

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)/p-1/t10-,11-/m0/s1
C12H12NO6S298.291781100
5318765

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)/p-1/t10-,11+/m0/s1
C12H12NO6S298.291781100
5318766

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)/p-1/t10-,11+/m1/s1
C12H12NO6S298.291781100
5318767

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H13NO6S/c14-12(15)10-2-1-3-11(10)20(18,19)9-6-4-8(5-7-9)13(16)17/h4-7,10-11H,1-3H2,(H,14,15)/p-1/t10-,11-/m1/s1
C12H12NO6S298.291781100

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