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 7 results

Search term: HCFDWZZGGLSKEP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3050

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
C17H22N2O270.36948320820146
49071766

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/i4D,5D,6D,9D,10D
C17H17D5N2O275.4002111400
5254676

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/t17-/m1/s1
C17H22N2O270.36949900
28485652

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/t17-/m0/s1
C17H22N2O270.36944300
3087570

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/p+1
C17H23N2O271.37682200
5305478

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/p+1/t17-/m1/s1
C17H23N2O271.377321100
58784157

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/t17-/m1/s1/i4D,5D,6D,9D,10D
C17H17D5N2O275.40021100

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