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: QTDOBONYIRTGJX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17746188

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H23N3O2/c1-2-12-21-17-10-6-7-11-18(17)22(19(21)20)13-15(23)14-24-16-8-4-3-5-9-16/h3-11,15,20,23H,2,12-14H2,1H3
C19H23N3O2325.404813800
2135020

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H23N3O2/c1-2-12-21-17-10-6-7-11-18(17)22(19(21)20)13-15(23)14-24-16-8-4-3-5-9-16/h3-11,15,20,23H,2,12-14H2,1H3/b20-19+
C19H23N3O2325.404825200
2681901

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H23N3O2/c1-2-12-21-17-10-6-7-11-18(17)22(19(21)20)13-15(23)14-24-16-8-4-3-5-9-16/h3-11,15,20,23H,2,12-14H2,1H3/p+1
C19H24N3O2326.412762100
1555450

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H23N3O2/c1-2-12-21-17-10-6-7-11-18(17)22(19(21)20)13-15(23)14-24-16-8-4-3-5-9-16/h3-11,15,20,23H,2,12-14H2,1H3/p+1/t15-/m0/s1
C19H24N3O2326.41222100
1555451

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H23N3O2/c1-2-12-21-17-10-6-7-11-18(17)22(19(21)20)13-15(23)14-24-16-8-4-3-5-9-16/h3-11,15,20,23H,2,12-14H2,1H3/p+1/t15-/m1/s1
C19H24N3O2326.41222100

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