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: PHMBVCPLDPDESM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82586

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1
C9H15NO3185.2203263000
391940

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8-/m0/s1
C9H15NO3185.22039900
391305

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8+/m0/s1
C9H15NO3185.220381000
10145714

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6?,7+,8?/m1/s1
C9H15NO3185.22035500
20001512

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8-/m0/s1
C9H15NO3185.22034200
8925447

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1/i1D3
C9H12D3NO3188.23883300
9074608

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,8+/m1/s1
C9H15NO3185.22033200
202972

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6-,7+,8-/m1/s1
C9H15NO3185.22033200
34996282

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m1/s1
C9H15NO3185.22031100
57570340

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,8+/m0/s1
C9H15NO3185.22031100
95601706

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8-/m1/s1
C9H15NO3185.22031100
95601707

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6-,7+,8-/m0/s1
C9H15NO3185.22031100
96750965

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7?,8?/m0/s1
C9H15NO3185.22031100
97510030

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6-,7+,8+/m1/s1
C9H15NO3185.22031100
110427256

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,8?/m1/s1
C9H15NO3185.22031100
110541705

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6-,7-,8+/m1/s1
C9H15NO3185.22031100
110557833

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,8-/m0/s1
C9H15NO3185.22031100

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