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 5 results

Search term: BHXUWJPOOLFBAP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
389378

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)
C8H11NO6217.1767500
4444300

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)/b5-2-
C8H11NO6217.176047800
7827614

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)/p-2/b5-2-
C8H9NO6215.16133300
95761015

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)/b5-2+
C8H11NO6217.1762200
75140583

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)/b5-2-/t6-/m0/s1
C8H11NO6217.1761200

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