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 16 results

Search term: JVBMCNHIFPWAOF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2014200

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)
C9H11NO3181.1885420900
23078799

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5-,6?,7-/m1/s1
C9H11NO3181.1885181100
32971413

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5-,6-,7-/m1/s1
C9H11NO3181.188511900
33289620

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5+,6?,7?/m0/s1
C9H11NO3181.18853300
56575809

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4?,5?,6-,7+/m0/s1
C9H11NO3181.18852200
10065035

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5+,6-,7+/m1/s1
C9H11NO3181.18852100
738636

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5+,6+,7+/m1/s1
C9H11NO3181.18852100
10065037

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5+,6+,7-/m0/s1
C9H11NO3181.18852100
10065036

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/p-1/t4-,5-,6+,7-/m0/s1
C9H10NO3180.18111100
10034826

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/p-1/t4-,5-,6+,7+/m1/s1
C9H10NO3180.18111100
10065034

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/p-1/t4-,5-,6-,7+/m1/s1
C9H10NO3180.18111100
60608072

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5+,6-,7+/m0/s1
C9H11NO3181.18851100
60609197

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5-,6+,7+/m0/s1
C9H11NO3181.18851100
97508744

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5-,6?,7+/m1/s1
C9H11NO3181.18851100
97508822

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5-,6+,7+/m1/s1
C9H11NO3181.18851100
109492177

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11NO3/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H2,10,11)(H,12,13)/t4-,5-,6-,7-/m0/s1
C9H11NO3181.18851100

Advertisement