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: ZBRNTPQVFDZHCI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2383079

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H22O3/c1-15(2)12-16(8-9-19-15,11-14(17)18)10-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)
C16H22O3262.34408453200
670722

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22O3/c1-15(2)12-16(8-9-19-15,11-14(17)18)10-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)/t16-/m1/s1
C16H22O3262.34412100
670723

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22O3/c1-15(2)12-16(8-9-19-15,11-14(17)18)10-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)/t16-/m0/s1
C16H22O3262.34412100
5314080

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22O3/c1-15(2)12-16(8-9-19-15,11-14(17)18)10-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)/p-1/t16-/m1/s1
C16H21O3261.336141100
5314081

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22O3/c1-15(2)12-16(8-9-19-15,11-14(17)18)10-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)/p-1/t16-/m0/s1
C16H21O3261.336141100

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