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 7 results

Search term: NAYOYSKSFGMFOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
97121

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1
C7H13NO4S207.2474304600
2832568

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)
C7H13NO4S207.24742172041
48057450

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1/i2D2,3D2
C7H9D4NO4S211.27213200
5380975

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/p-1/t6-/m0/s1
C7H12NO4S206.242100
107451266

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1/i2+1,3+1
C513C2H13NO4S209.23272200
76612562

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m1/s1
C7H13NO4S207.24741200
78076146

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m1/s1/i2D2,3D2
C7H9D4NO4S211.27211100

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