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 23 results

Search term: JXOHGGNKMLTUBP (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8412

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
C7H10O5174.1513157214339296
1063

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)
C7H10O5174.15136124001
9507698

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6+/m1/s1
C7H10O5174.15138400
25027421

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4?,5-,6?/m1/s1
C7H10O5174.15138800
23089616

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6-/m0/s1
C7H10O5174.151362339298
5414360

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/p-1/t4-,5-,6-/m1/s1
C7H9O5173.14396600
5429086

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6+/m0/s1
C7H10O5174.15134200
21232580

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6+/m1/s1
C7H10O5174.15134200
9964375

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6+/m0/s1
C7H10O5174.15133200
10251351

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6-/m1/s1
C7H10O5174.15132101
8165312

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1/i2D/t2-,4-,5-,6-
C7H9DO5175.15752100
8279190

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6-/m1/s1/i5D
C7H9DO5175.15752200
9161960

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m0/s1
C7H10O5174.15132100
61713098

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4?,5-,6-/m1/s1
C7H10O5174.15132300
65793566

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6?/m1/s1
C7H10O5174.151318100
75148198

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4?,5-,6?/m0/s1
C7H10O5174.15131100
75226935

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5?,6?/m1/s1
C7H10O5174.15131100
12

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