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
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Found 7 results

Search term: BIOCOYIPJQMGTN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
461090

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3
C17H16O3268.3071394500
34993928

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/t12-/m0/s1
C17H16O3268.3071111300
48061898

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/i1D3
C17H13D3O3271.32568600
48061899

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/i1+1D3
C1613CH13D3O3272.31837700
68023541

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/i1+1
C1613CH16O3269.29982300
113057113

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/t12-/m1/s1
C17H16O3268.30711100
129201526

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/i1-1
C1611CH16O3267.30791100

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