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: NOBXVLJGTXXXFP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943360

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/b13-12+,14-9+
C17H28O3280.40244500
58163883

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/b13-12+,14-9+/t15-,17+/m1/s1
C17H28O3280.40243400
103875358

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)
C17H28O3280.40241100
120326679

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/b13-12u,14-9+
C17H28O3280.40241100
58163839

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/p-1/b13-12+,14-9+/t15-,17+/m1/s1
C17H27O3279.3951100

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