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 8 results

Search term: FTVWIRXFELQLPI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
907

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
C15H12O5272.25281486911133142
388383

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
C15H12O5272.25281151601108146
580872

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1
C15H12O5272.2528443600
123963128

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1/i1D,2D,3D,4D
C15H8D4O5276.27745500
128943017

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1/i3D,4D,5D,6D
C15H8D4O5276.27741100
24785352

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/p-1
C15H11O5271.24541600
26331109

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/p-1/t13-/m0/s1
C15H11O5271.24541100
113391387

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/i3D,4D,5D,6D,7D
C15H7D5O5277.28361100

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