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 6 results

Search term: JYUVJQBGBKAJMS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
405171

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)/t14-/m0/s1
C16H22N2O5322.3563433400
295303

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)
C16H22N2O5322.3563191500
5361411

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)/p-1/t14-/m0/s1
C16H21N2O5321.34892200
21202433

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)/p-1/t14-/m1/s1
C16H21N2O5321.34891100
26571295

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)/t14-/m1/s1
C16H22N2O5322.35631200
3485144

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)/p-1
C16H21N2O5321.348341100

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