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 17 results

Search term: FAKRSMQSSFJEIM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
40130

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
C9H15NO3S217.28531592021014199
2453

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)
C9H15NO3S217.285347724103
599746

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m0/s1
C9H15NO3S217.2853282600
394256

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m1/s1
C9H15NO3S217.2853212700
393872

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m0/s1
C9H15NO3S217.2853161700
16739796

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6?,7-/m0/s1
C9H15NO3S217.28531317243
395629

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1
C9H15NO3S217.285311700
48057458

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1/i4D2,7D
C9H12D3NO3S220.3038111200
23935586

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1/i2D2,3D2,4D2,7D
C9H8D7NO3S224.32846500
23230355

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7?/m0/s1
C9H15NO3S217.28533300
57268009

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1/i7D
C9H14DNO3S218.29153100
19373498

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6?,7-/m1/s1
C9H15NO3S217.28532200
21200440

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/p-1/t6-,7+/m0/s1
C9H14NO3S216.27792100
10033678

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/p-1/t6-,7+/m1/s1
C9H14NO3S216.27792200
60958693

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m1/s1/i4D2,7D
C9H12D3NO3S220.30381100
95600829

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1/i/hD2
C9H13D2NO3S219.29761100

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