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 15 results

Search term: FBUKMFOXMZRGRB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4861048

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
C18H32O3296.4449252000
4446145

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+
C18H32O3296.44488223870
4475219

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1
C18H32O3296.4449151700
29341383

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m1/s1
C18H32O3296.444981000
52082952

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m1/s1/i7D,10D,16D,17D
C18H28D4O3300.46958900
1853

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)
C18H32O3296.4449740110
34448929

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/p-1/b10-7-
C18H31O3295.43752200
11570748

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/p-1/b10-7+
C18H31O3295.4375217270
26323996

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16?,17-/m0/s1
C18H32O3296.44491100
26323998

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16?,17-/m1/s1
C18H32O3296.44491200

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