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: HRBQDQOOFCWHTR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3335856

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,21)(H,19,20)
C17H19NO4301.33706393000
21106885

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1
C17H19NO4301.3371171300
9077945

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1
C17H19NO4301.337111900
95559384

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,21)(H,19,20)/p-1
C17H18NO4300.32971100
95601022

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,21)(H,19,20)/p-1/t14-/m0/s1
C17H18NO4300.32971100

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