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 10 results

Search term: HBGSSXPVPKMKAU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
114937

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3
C17H22N2254.37261500
17461789

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/t12?,17-/m1/s1
C17H22N2254.3712800
5429665

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/t12-,17+/m0/s1
C17H22N2254.372100
699934

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/t12-,17-/m0/s1
C17H22N2254.372100
809819

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/t12-,17+/m1/s1
C17H22N2254.372100
5023935

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/t12-,17-/m1/s1
C17H22N2254.372100
5401037

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/p+1/t12-,17-/m1/s1
C17H23N2255.37741100
5429664

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/p+1/t12-,17+/m0/s1
C17H23N2255.37741100
5733197

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/p+1/t12-,17+/m1/s1
C17H23N2255.37741100
5733198

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H22N2/c1-12-7-9-17(2)16-14(8-10-19(17)11-12)13-5-3-4-6-15(13)18-16/h3-6,12,18H,7-11H2,1-2H3/p+1/t12-,17-/m0/s1
C17H23N2255.37741100

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