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: PBBGSZCBWVPOOL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3480

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
C18H22O2270.366196315123
166848

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
C18H22O2270.36618013327926
204902

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18-/m0/s1
C18H22O2270.3661212000
48061780

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/i1D3,2D3
C18H16D6O2276.40319900
48061781

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/i3D2,4D2
C18H18D4O2274.390781000
599551

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18-/m1/s1
C18H22O2270.36618400
4937968

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18?/m1/s1
C18H22O2270.36616600
24533836

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/i3D2,4D2,17D,18D
C18H16D6O2276.40313400
29790067

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18?/m0/s1
C18H22O2270.36612200
60497973

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+/i3D2,4D2,17D,18D
C18H16D6O2276.40312300

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